5WDI
 
 | | Structure of Human Sts-2 histidine phosphatase domain | | Descriptor: | SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein A | | Authors: | Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B. | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
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2YL9
 | | INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-06-01 | | Release date: | 2011-09-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
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5WSB
 | | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-06 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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5W74
 | | Crystal Structure of the Group II Chaperonin from Methanococcus Maripaludis D386ADeltaLid Mutant in the Open, ADP-Bound State | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION | | Authors: | Dalton, K.M, Lopez, T, Liu, C, Ralston, C.Y, Pereira, J.H, Chartron, J.W, McAndrew, R.P, Douglas, N.R, Adams, P.D, Pande, V.S, Frydman, J. | | Deposit date: | 2017-06-19 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | The Conformational Cycle of the Group II Chaperonin Termini
To Be Published
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2YBB
 | | Fitted model for bovine mitochondrial supercomplex I1III2IV1 by single particle cryo-EM (EMD-1876) | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Althoff, T, Mills, D.J, Popot, J.-L, Kuehlbrandt, W. | | Deposit date: | 2011-03-02 | | Release date: | 2011-10-19 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (19 Å) | | Cite: | Arrangement of Electron Transport Chain Components in Bovine Mitochondrial Supercomplex I(1)III(2)Iv(1).
Embo J., 30, 2011
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5WDK
 | | A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis | | Descriptor: | 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION | | Authors: | Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J. | | Deposit date: | 2017-07-05 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro.
Acs Chem.Biol., 13, 2018
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2YL5
 | | Inhibition of the pneumococcal virulence factor StrH and molecular insights into N-glycan recognition and hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, MAGNESIUM ION | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-05-31 | | Release date: | 2011-09-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
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1RAH
 | | CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Kosman, R.P, Gouaux, J.E, Lipscomb, W.N. | | Deposit date: | 1992-08-14 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of CTP-ligated T state aspartate transcarbamoylase at 2.5 A resolution: implications for ATCase mutants and the mechanism of negative cooperativity.
Proteins, 15, 1993
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1REI
 | | THE MOLECULAR STRUCTURE OF A DIMER COMPOSED OF THE VARIABLE PORTIONS OF THE BENCE-JONES PROTEIN REI REFINED AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | BENCE-JONES PROTEIN REI (LIGHT CHAIN) | | Authors: | Epp, O, Lattman, E.E, Colman, P, Fehlhammer, H, Bode, W, Schiffer, M, Huber, R, Palm, W. | | Deposit date: | 1976-03-17 | | Release date: | 1976-05-19 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The molecular structure of a dimer composed of the variable portions of the Bence-Jones protein REI refined at 2.0-A resolution.
Biochemistry, 14, 1975
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2YRS
 | | Human hemoglobin D Los Angeles: crystal structure | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Poy, C.D, Moreno, F, Bonini-Domingos, C.R, Filgueira de Azevedo Jr, W, Bonilla-Rodriguez, G.O. | | Deposit date: | 2007-04-03 | | Release date: | 2008-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human Hemoglobin D Los Angeles: crystal structure
to be published
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1RO8
 | | Structural analysis of the sialyltransferase CstII from Campylobacter jejuni in complex with a substrate analogue, cytidine-5'-monophosphate | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, alpha-2,3/8-sialyltransferase | | Authors: | Chiu, C.P, Watts, A.G, Lairson, L.L, Gilbert, M, Lim, D, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C. | | Deposit date: | 2003-12-01 | | Release date: | 2004-02-03 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural analysis of the sialyltransferase CstII from Campylobacter jejuni in complex with a substrate analog.
Nat.Struct.Mol.Biol., 11, 2004
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2YJ0
 | | X-ray structure of chemically engineered Mycobacterium tuberculosis Dodecin | | Descriptor: | CHLORIDE ION, COENZYME A, DODECIN, ... | | Authors: | Vinzenz, X, Grosse, W, Linne, U, Meissner, B, Essen, L.-O. | | Deposit date: | 2011-05-17 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Chemical Engineering of Mycobacterium Tuberculosis Dodecin Hybrids.
Chem.Commun.(Camb.), 47, 2011
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6WE3
 | | Human PARP14 (ARTD8), catalytic fragment in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Swinger, K.S, Schenkel, L.B, Kuntz, K.W. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
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2YLL
 | | Inhibition of the pneumococcal virulence factor StrH and molecular insights into N-glycan recognition and hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, BETA-N-ACETYLHEXOSAMINIDASE, ... | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-06-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
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1ROO
 | | NMR SOLUTION STRUCTURE OF SHK TOXIN, NMR, 20 STRUCTURES | | Descriptor: | SHK TOXIN | | Authors: | Tudor, J.E, Pallaghy, P.K, Pennington, M.W, Norton, R.S. | | Deposit date: | 1996-01-11 | | Release date: | 1997-01-27 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of ShK toxin, a novel potassium channel inhibitor from a sea anemone.
Nat.Struct.Biol., 3, 1996
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1RAC
 | | CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Kosman, R.P, Gouaux, J.E, Lipscomb, W.N. | | Deposit date: | 1992-08-14 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of CTP-ligated T state aspartate transcarbamoylase at 2.5 A resolution: implications for ATCase mutants and the mechanism of negative cooperativity.
Proteins, 15, 1993
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2YBV
 | | STRUCTURE OF RUBISCO FROM THERMOSYNECHOCOCCUS ELONGATUS | | Descriptor: | CHLORIDE ION, RIBULOSE BISPHOSPHATE CARBOXYLASE LARGE CHAIN, RIBULOSE BISPHOSPHATE CARBOXYLASE SMALL SUBUNIT | | Authors: | Terlecka, B, Wilhelmi, V, Bialek, W, Gubernator, B, Szczepaniak, A, Hofmann, E. | | Deposit date: | 2011-03-10 | | Release date: | 2012-03-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase from Thermosynechococcus Elongatus
To be Published
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1RAD
 | | CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Kosman, R.P, Gouaux, J.E, Lipscomb, W.N. | | Deposit date: | 1992-08-14 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of CTP-ligated T state aspartate transcarbamoylase at 2.5 A resolution: implications for ATCase mutants and the mechanism of negative cooperativity.
Proteins, 15, 1993
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2YKV
 | | Structural Determinants of the Beta-Selectivity of a Bacterial Aminotransferase | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, BETA-TRANSAMINASE | | Authors: | Wybenga, G.G, Crismaru, C.G, Janssen, D.B, Dijkstra, B.W. | | Deposit date: | 2011-05-30 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Determinants of the Beta-Selectivity of a Bacterial Aminotransferase.
J.Biol.Chem., 287, 2012
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2YB1
 | | Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound Mn, AMP and phosphate. | | Descriptor: | ADENOSINE MONOPHOSPHATE, AMIDOHYDROLASE, MANGANESE (II) ION, ... | | Authors: | Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2011-02-25 | | Release date: | 2011-03-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily.
Biochemistry, 53, 2014
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2B0K
 | | Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex. | | Descriptor: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Miao, Y, Lee, M.P, Parkinson, G.N, Batista-Parra, A, Ismail, M.A, Neidle, S, Boykin, D.W, Wilson, W.D. | | Deposit date: | 2005-09-14 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove.
Biochemistry, 44, 2005
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6X1C
 | | Tubulin-RB3_SLD-TTL in complex with compound 5j | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-05-18 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
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6X1F
 | | Tubulin-RB3_SLD-TTL in complex with compound 5m | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-05-18 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
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6X1E
 | | Tubulin-RB3_SLD-TTL in complex with compound 5l | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-05-18 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
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1RAG
 | | CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Kosman, R.P, Gouaux, J.E, Lipscomb, W.N. | | Deposit date: | 1992-08-14 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of CTP-ligated T state aspartate transcarbamoylase at 2.5 A resolution: implications for ATCase mutants and the mechanism of negative cooperativity.
Proteins, 15, 1993
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