1MHW | | DESIGN OF NON-COVALENT INHIBITORS OF HUMAN CATHEPSIN L. FROM THE 96-RESIDUE PROREGION TO OPTIMIZED TRIPEPTIDES | | Descriptor: | Cathepsin L, 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide | | Authors: | Chowdhury, S., Sivaraman, J., Wang, J., Devanathan, G., Lachance, P., Qi, H., Menard, R., Lefebvre, J., Konishi, Y., Cygler, M., Sulea, T., Purisima, E.O. | | Deposit date: | 2002-08-21 | | Release date: | 2002-12-11 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides
J.Med.Chem., 45, 2002
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2GIO | |
2GIP | |
5UZ9 | | CRYO EM STRUCTURE OF ANTI-CRISPRS, ACRF1 AND ACRF2, BOUND TO TYPE I-F CRRNA-GUIDED CRISPR SURVEILLANCE COMPLEX | | Descriptor: | CRISPR-associated protein Csy1, CRISPR-associated protein Csy2, CRISPR-associated protein Csy3, ... | | Authors: | Chowdhury, S., Carter, J., Rollins, M.F., Jackson, R.N., Hoffmann, C., Nosaka, L., Bondy-Denomy, J., Maxwell, K.L., Davidson, A.R., Fischer, E.R., Lander, G.C., Wiedenheft, B. | | Deposit date: | 2017-02-25 | | Release date: | 2017-04-26 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure Reveals Mechanisms of Viral Suppressors that Intercept a CRISPR RNA-Guided Surveillance Complex.
Cell, 169, 2017
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6NE0 | | STRUCTURE OF DOUBLE-STRANDED TARGET DNA ENGAGED CSY COMPLEX FROM PSEUDOMONAS AERUGINOSA (PA-14) | | Descriptor: | CRISPR-associated protein Csy1, CRISPR-associated protein Csy2, CRISPR-associated protein Csy3, ... | | Authors: | Chowdhury, S., Rollins, M.F., Carter, J., Golden, S.M., Miettinen, H.M., Santiago-Frangos, A., Faith, D., Lawrence, M.C., Wiedenheft, B., Lander, G.C. | | Deposit date: | 2018-12-15 | | Release date: | 2018-12-26 | | Last modified: | 2019-04-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure Reveals a Mechanism of CRISPR-RNA-Guided Nuclease Recruitment and Anti-CRISPR Viral Mimicry.
Mol. Cell, 74, 2019
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4PBU | | SERIAL TIME-RESOLVED CRYSTALLOGRAPHY OF PHOTOSYSTEM II USING A FEMTOSECOND X-RAY LASER THE S1 STATE | | Descriptor: | Photosystem Q(B) protein 1, Photosystem II core light harvesting protein, Photosystem II CP43 protein, ... | | Authors: | Kupitz, C., Basu, S., Grotjohann, I., Fromme, R., Zatsepin, N., Rendek, K.N., Hunter, M., Shoeman, R.L., White, T.A., Wang, D., James, D., Yang, J.H., Cobb, D.E., Reeder, B., Sierra, R.G., Liu, H., Barty, A., Aquila, A., Deponte, D., Kirian, R.A., Bari, S., Bergkamp, J.J., Beyerlein, K., Bogan, M.J., Caleman, C., Chao, T.-C., Conrad, C.E., Davis, K.M., Fleckenstein, H., Galli, L., Hau-Riege, S.P., Kassemeyer, S., Laksmono, H., Liang, M., Lomb, L., Marchesini, S., Martin, A.V., Messerschmidt, M., Milathianaki, D., Nass, K., Ros, A., Roy-Chowdhury, S., Schmidt, K., Seibert, M., Steinbrener, J., Stellato, F., Yan, L., Yoon, C., Moore, T.A., Moore, A.L., Pushkar, Y., Williams, G.J., Boutet, S., Doak, R.B., Weierstall, U., Frank, M., Chapman, H.N., Spence, J.C.H., Fromme, P. | | Deposit date: | 2014-04-13 | | Release date: | 2014-07-16 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
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4RVY | | SERIAL TIME RESOLVED CRYSTALLOGRAPHY OF PHOTOSYSTEM II USING A FEMTOSECOND X-RAY LASER. THE S STATE AFTER TWO FLASHES (S3) | | Descriptor: | Photosystem II protein D1 1, Photosystem II CP47 reaction center protein, Photosystem II CP43 reaction center protein, ... | | Authors: | Kupitz, C., Basu, S., Grotjohann, I., Fromme, R., Zatsepin, N., Rendek, K.N., Hunter, M., Shoeman, R.L., White, T.A., Wang, D., James, D., Yang, J.-H., Cobb, D.E., Reeder, B., Sierra, R.G., Liu, H., Barty, A., Aquila, A., Deponte, D., Kirian, R., Bari, S., Bergkamp, J.J., Beyerlein, K., Bogan, M.J., Caleman, C., Chao, T.-C., Conrad, C.E., Davis, K.M., Fleckenstein, H., Galli, L., Hau-Riege, S.P., Kassemeyer, S., Laksmono, H., Liang, M., Lomb, L., Marchesini, S., Martin, A.V., Messerschmidt, M., Milathianaki, D., Nass, K., Ros, A., Roy-Chowdhury, S., Schmidt, K., Seibert, M., Steinbrener, J., Stellato, F., Yan, L., Yoon, C., Moore, T.A., Moore, A.L., Pushkar, Y., Williams, G.J., Boutet, S., Doak, R.B., Weierstall, U., Frank, M., Chapman, H.N., Spence, J.C.H., Fromme, P. | | Deposit date: | 2014-11-29 | | Release date: | 2015-11-04 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (5.5 Å) | | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
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2M71 | | SOLUTION STRUCTURE OF THE A C-TERMINAL DOMAIN OF TRANSLATION INITIATION FACTOR IF-3 FROM CAMPYLOBACTER JEJUNI | | Descriptor: | Translation initiation factor IF-3 | | Authors: | Harris, R., Ahmed, M., Attonito, J., Bonanno, J.B., Chamala, S., Chowdhury, S., Evans, B., Fiser, A., Glenn, A.S., Hammonds, J., Hillerich, B., Khafizov, K., Lafleur, J., Love, J.D., Seidel, R.D., Stead, M., Girvin, M.E., Almo, S.C., New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-16 | | Release date: | 2013-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the a C-terminal domain of translation initiation factor IF-3 from Campylobacter jejuni
To be Published
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2M72 | | SOLUTION STRUCTURE OF UNCHARACTERIZED THIOREDOXIN-LIKE PROTEIN PG_2175 FROM PORPHYROMONAS GINGIVALIS | | Descriptor: | Uncharacterized thioredoxin-like protein | | Authors: | Harris, R., Ahmed, M., Attonito, J., Bonanno, J.B., Chamala, S., Chowdhury, S., Evans, B., Fiser, A., Glenn, A.S., Hammonds, J., Hillerich, B., Khafizov, K., Lafleur, J., Love, J.D., Seidel, R.D., Stead, M., Girvin, M.E., Almo, S.C., New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-16 | | Release date: | 2013-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of uncharacterized thioredoxin-like protein PG_2175 from Porphyromonas gingivalis
To be Published
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3M0E | | CRYSTAL STRUCTURE OF THE ATP-BOUND STATE OF WALKER B MUTANT OF NTRC1 ATPASE DOMAIN | | Descriptor: | Transcriptional regulator (NtrC family), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Chen, B., Sysoeva, T.A., Chowdhury, S., Rusu, M., Birmanns, S., Guo, L., Hanson, J., Yang, H., Nixon, B.T. | | Deposit date: | 2010-03-02 | | Release date: | 2010-11-03 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Engagement of Arginine Finger to ATP Triggers Large Conformational Changes in NtrC1 AAA+ ATPase for Remodeling Bacterial RNA Polymerase.
Structure, 18, 2010
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3V3W | | CRYSTAL STRUCTURE OF AN ENOLASE FROM THE SOIL BACTERIUM CELLVIBRIO JAPONICUS (TARGET EFI-502161) WITH BOUND MG AND GLYCEROL | | Descriptor: | Starvation sensing protein rspA, MAGNESIUM ION, GLYCEROL, ... | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Wasserman, S.R., Morisco, L.L., Sojitra, S., Seidel, R., Hillerich, B., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Zencheck, W.D., Imker, H.J., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2011-12-14 | | Release date: | 2012-01-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol
to be published
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3V4B | | CRYSTAL STRUCTURE OF AN ENOLASE FROM THE SOIL BACTERIUM CELLVIBRIO JAPONICUS (TARGET EFI-502161) WITH BOUND MG AND L-TARTRATE | | Descriptor: | Starvation sensing protein rspA, MAGNESIUM ION, CHLORIDE ION, ... | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Wasserman, S.R., Morisco, L.L., Sojitra, S., Seidel, R.D., Hillerich, B., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Al Obaidi, N., Zencheck, W.D., Imker, H.J., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2011-12-14 | | Release date: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and l-tartrate
to be published
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4DO7 | | CRYSTAL STRUCTURE OF AN AMIDOHYDROLASE (COG3618) FROM BURKHOLDERIA MULTIVORANS (TARGET EFI-500235) WITH BOUND ZN, SPACE GROUP C2 | | Descriptor: | Amidohydrolase 2, ZINC ION, SULFATE ION | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Wasserman, S.R., Morisco, L.L., Sojitra, S., Seidel, R.D., Hillerich, B., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Al Obaidi, N.F., Zencheck, W.D., Imker, H.J., Gerlt, J.A., Raushel, F.M., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-09 | | Release date: | 2012-02-29 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound zn, space group c2
to be published
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4DYE | | CRYSTAL STRUCTURE OF AN ENOLASE (PUTATIVE SUGAR ISOMERASE, TARGET EFI-502095) FROM STREPTOMYCES COELICOLOR, NO MG, ORDERED LOOP | | Descriptor: | isomerase, 1,2-ETHANEDIOL, GLYCEROL | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-28 | | Release date: | 2012-03-14 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of an enolase (putative sugar isomerase, target efi-502095) from streptomyces coelicolor, no mg, ordered loop
to be published
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4E4S | | CRYSTAL STRUCTURE OF PIKA GITRL | | Descriptor: | Tumor necrosis factor ligand superfamily member 18, GLYCEROL, MAGNESIUM ION | | Authors: | Kumar, P.R., Bhosle, R., Bonanno, J., Chowdhury, S., Gizzi, A., Glen, S., Hillerich, B., Hammonds, J., Seidel, R., Toro, R., Nathenson, S.G., Almo, S.C., New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2012-03-13 | | Release date: | 2012-03-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of GITRL from Ochotona princeps
to be published
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4E5T | | CRYSTAL STRUCTURE OF A PUTATIVE MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME (TARGET PSI-200750) FROM LABRENZIA ALEXANDRII DFL-11 | | Descriptor: | Mandelate racemase / muconate lactonizing enzyme, C-terminal domain protein, MAGNESIUM ION | | Authors: | Kumar, P.R., Bonanno, J., Chowdhury, S., Foti, R., Gizzi, A., Glen, S., Hammonds, J., Hillerich, B., Matikainen, B., Seidel, R., Toro, R., Zencheck, W., Almo, S.C., New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-03-14 | | Release date: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a putative MR/ML enzyme from Labrenzia alexandrii DFL-11
to be published
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4E69 | | CRYSTAL STRUCTURE OF A SUGAR KINASE (TARGET EFI-502132) FROM OCEANICOLA GRANULOSUS, UNLIGANDED STRUCTURE | | Descriptor: | 2-dehydro-3-deoxygluconokinase, CHLORIDE ION, 1,2-ETHANEDIOL, ... | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-03-15 | | Release date: | 2012-04-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a sugar kinase (target EFI-502132) from Oceanicola granulosus, unliganded structure
To be Published
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4EBU | | CRYSTAL STRUCTURE OF A SUGAR KINASE (TARGET EFI-502312) FROM OCEANICOLA GRANULOSUS, WITH BOUND AMP/ADP CRYSTAL FORM I | | Descriptor: | 2-dehydro-3-deoxygluconokinase, CHLORIDE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-03-24 | | Release date: | 2012-04-18 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a sugar kinase (Target EFI-502312) from Oceanicola granulosus, with bound AMP/ADP crystal form I
TO BE PUBLISHED
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4EUM | | CRYSTAL STRUCTURE OF A SUGAR KINASE (TARGET EFI-502132) FROM OCEANICOLA GRANULOSUS WITH BOUND AMP, CRYSTAL FORM II | | Descriptor: | 2-dehydro-3-deoxygluconokinase, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-04-25 | | Release date: | 2012-05-16 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a sugar kinase (Target EFI-502132) from Oceanicola granulosus with bound AMP, crystal form II
To be Published
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4EUN | | CRYSTAL STRUCTURE OF A SUGAR KINASE (TARGET EFI-502144 FROM JANIBACTER SP. HTCC2649), UNLIGANDED STRUCTURE | | Descriptor: | thermoresistant glucokinase, SULFATE ION | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-04-25 | | Release date: | 2012-05-16 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a sugar kinase (Target EFI-502144 from Janibacter sp. HTCC2649), unliganded structure
To be Published
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4F4R | | CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE HOMOLOG FROM CHROMOHALOBACTER SALEXIGENS (TARGET EFI-502114), WITH BOUND NA, ORDERED LOOP | | Descriptor: | D-mannonate dehydratase, SODIUM ION, CHLORIDE ION, ... | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI), Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | | Deposit date: | 2012-05-11 | | Release date: | 2012-06-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop
to be published
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4G8T | | CRYSTAL STRUCTURE OF A GLUCARATE DEHYDRATASE RELATED PROTEIN, FROM ACTINOBACILLUS SUCCINOGENES, TARGET EFI-502312, WITH SODIUM AND SULFATE BOUND, ORDERED LOOP | | Descriptor: | Glucarate dehydratase, SULFATE ION, SODIUM ION, ... | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-07-23 | | Release date: | 2012-08-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target efi-502312, with sodium and sulfate bound, ordered loop
TO BE PUBLISHED
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4G9B | | CRYSTAL STRUCTURE OF BETA-PHOSPHOGLUCOMUTASE HOMOLOG FROM ESCHERICHIA COLI, TARGET EFI-501172, WITH BOUND MG, OPEN LID | | Descriptor: | Beta-phosphoglucomutase, MAGNESIUM ION, CHLORIDE ION, ... | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Dunaway-Mariano, D., Allen, K.N., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-07-23 | | Release date: | 2012-08-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid
To be Published
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4G9H | | CRYSTAL STRUCTURE OF GLUTAHTIONE S-TRANSFERASE HOMOLOG FROM YERSINIA PESTIS, TARGET EFI-501894, WITH BOUND GLUTATHIONE | | Descriptor: | Glutathione S-transferase, GLUTATHIONE, GLYCEROL | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Armstrong, R.N., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-07-23 | | Release date: | 2012-08-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target efi-501894, with bound glutathione
To be Published
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4GCI | | CRYSTAL STRUCTURE OF GLUTAHTIONE S-TRANSFERASE HOMOLOG FROM YERSINIA PESTIS, TARGET EFI-501894, WITH BOUND GLUTATHIONE, MONOCLINIC FORM | | Descriptor: | Glutathione S-transferase, CHLORIDE ION, GLUTATHIONE | | Authors: | Vetting, M.W., Toro, R., Bhosle, R., Al Obaidi, N.F., Morisco, L.L., Wasserman, S.R., Sojitra, S., Washington, E., Scott Glenn, A., Chowdhury, S., Evans, B., Hammonds, J., Hillerich, B., Love, J., Seidel, R.D., Imker, H.J., Armstrong, R.N., Gerlt, J.A., Almo, S.C., Enzyme Function Initiative (EFI) | | Deposit date: | 2012-07-30 | | Release date: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione, monoclinic form
To be Published
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