4JQN
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Hydroxybenzaldehyde | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, P-HYDROXYBENZALDEHYDE, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-20 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JPU
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Benzamidine | Descriptor: | BENZAMIDINE, Cytochrome c peroxidase, PHOSPHATE ION, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-19 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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4JQM
| Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinazoline | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Boyce, S.E, Fischer, M, Fish, I. | Deposit date: | 2013-03-20 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425, 2013
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3SA0
| Complex of ERK2 with norathyriol | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, norathyriol | Authors: | Kurinov, I, Malakhova, M. | Deposit date: | 2011-06-02 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5947 Å) | Cite: | Norathyriol Suppresses Skin Cancers Induced by Solar Ultraviolet Radiation by Targeting ERK Kinases. Cancer Res., 72, 2012
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4J55
| Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-02031 | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, Protease | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2013-02-07 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran. J.Med.Chem., 56, 2013
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4J80
| Thermus thermophilus DnaJ | Descriptor: | Chaperone protein DnaJ 2 | Authors: | Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J. | Deposit date: | 2013-02-14 | Release date: | 2013-07-31 | Last modified: | 2013-10-09 | Method: | EPR (2.9 Å), X-RAY DIFFRACTION | Cite: | Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ. Acta Crystallogr.,Sect.D, 69, 2013
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2NZ2
| Crystal structure of human argininosuccinate synthase in complex with aspartate and citrulline | Descriptor: | ASPARTIC ACID, Argininosuccinate synthase, CITRULLINE, ... | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-22 | Release date: | 2006-12-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human argininosuccinate synthetase. Acta Crystallogr.,Sect.D, 64, 2008
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4JM4
| Crystal Structure of PGT 135 Fab | Descriptor: | PGT 135 Heavy Chain, PGT 135 Light Chain | Authors: | Kong, L, Wilson, I.A. | Deposit date: | 2013-03-13 | Release date: | 2013-05-29 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120. Nat.Struct.Mol.Biol., 20, 2013
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3RXE
| Crystal structure of Trypsin complexed with benzamide | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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4H6O
| Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole | Descriptor: | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | Authors: | Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I. | Deposit date: | 2012-09-19 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth. J.Med.Chem., 56, 2013
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4HH1
| Dark-state structure of AppA wild-type without the Cys-rich region from Rb. sphaeroides | Descriptor: | AppA protein, FLAVIN MONONUCLEOTIDE | Authors: | Winkler, A, Heintz, U, Lindner, R, Reinstein, J, Shoeman, R, Schlichting, I. | Deposit date: | 2012-10-09 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.501 Å) | Cite: | A ternary AppA-PpsR-DNA complex mediates light regulation of photosynthesis-related gene expression. Nat.Struct.Mol.Biol., 20, 2013
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4GRA
| Crystal structure of SULT1A1 bound with PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1 | Authors: | Kim, J, Cook, I, Wang, T, Falany, C.N, Leyh, T.S, Almo, S.C. | Deposit date: | 2012-08-24 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The gate that governs sulfotransferase selectivity. Biochemistry, 52, 2013
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4HF5
| Crystal structure of Fab 8F8 in complex a H2N2 influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 8F8 heavy chain, Fab 8F8 light chain, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2012-10-04 | Release date: | 2013-02-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin. Nat.Struct.Mol.Biol., 20, 2013
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3V4H
| Crystal structure of a type VI secretion system effector from Yersinia pestis | Descriptor: | hypothetical protein | Authors: | Filippova, E.V, Halavaty, A, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-12-14 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a type VI secretion system effector from Yersinia pestis To be Published
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4TOP
| Glycine max glutathione transferase | Descriptor: | 2,4-D inducible glutathione S-transferase, GLUTATHIONE | Authors: | Axarli, I, Dhavala, P, Papageorgiou, A.C. | Deposit date: | 2014-06-06 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Comparative analysis of the structural and functional features of two homologous tau class glutathione transferases from Glycine max To Be Published
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3V68
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3UKD
| UMP/CMP KINASE FROM SLIME MOLD COMPLEXED WITH ADP, CMP, AND ALF3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Schlichting, I, Reinstein, J. | Deposit date: | 1997-05-20 | Release date: | 1998-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of active conformations of UMP kinase from Dictyostelium discoideum suggest phosphoryl transfer is associative. Biochemistry, 36, 1997
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4GSP
| RIBONUCLEASE T1 COMPLEXED WITH 2',3'-CGPS + 3'-GMP, 7 DAYS | Descriptor: | CALCIUM ION, GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE, GUANOSINE-3'-MONOPHOSPHATE, ... | Authors: | Zegers, I, Wyns, L. | Deposit date: | 1997-12-02 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Hydrolysis of a slow cyclic thiophosphate substrate of RNase T1 analyzed by time-resolved crystallography. Nat.Struct.Biol., 5, 1998
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4H3Q
| Crystal structure of human ERK2 complexed with a MAPK docking peptide | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Gogl, G, Toeroe, I, Remenyi, A. | Deposit date: | 2012-09-14 | Release date: | 2013-02-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase Acta Crystallogr.,Sect.D, 69, 2013
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3VF1
| Structure of a calcium-dependent 11R-lipoxygenase suggests a mechanism for Ca-regulation | Descriptor: | 11R-lipoxygenase, FE (II) ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Eek, P, Jarving, R, Jarving, I, Gilbert, N.C, Newcomer, M.E, Samel, N. | Deposit date: | 2012-01-09 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.473 Å) | Cite: | Structure of a Calcium-dependent 11R-Lipoxygenase Suggests a Mechanism for Ca2+ Regulation. J.Biol.Chem., 287, 2012
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3VLM
| Crystal Structure Analysis of the Met244Ala Variant of KatG from Haloarcula marismortui | Descriptor: | Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sato, T, Ten-i, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T. | Deposit date: | 2011-12-01 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure and Kinetic Studies on Met244Ala Variant of KatG from HALOARCULA MARISMORTUI To be Published
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3VIO
| Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with a new glucopyranosidic product | Descriptor: | 3-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid, Beta-glucosidase, CHLORIDE ION, ... | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | Deposit date: | 2011-10-03 | Release date: | 2012-07-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates Acta Crystallogr.,Sect.D, 68, 2012
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3T4E
| 1.95 Angstrom Crystal Structure of Shikimate 5-dehydrogenase (AroE) from Salmonella enterica subsp. enterica serovar Typhimurium in Complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Quinate/shikimate dehydrogenase | Authors: | Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-07-25 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Crystal Structure of Shikimate 5-dehydrogenase (AroE) from Salmonella enterica subsp. enterica serovar Typhimurium in Complex with NAD. TO BE PUBLISHED
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3T7F
| Atg8 transfer from Atg7 to Atg3: a distinctive E1-E2 architecture and mechanism in the autophagy pathway | Descriptor: | Ubiquitin-like modifier-activating enzyme ATG7 | Authors: | Taherbhoy, A.M, Tait, S.W, Kaiser, S.E, Williams, A.H, Deng, A, Nourse, A, Hammel, M, Kurinov, I, Rock, C.O, Green, D.R, Schulman, B.A. | Deposit date: | 2011-07-30 | Release date: | 2011-11-23 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Atg8 transfer from atg7 to atg3: a distinctive e1-e2 architecture and mechanism in the autophagy pathway. Mol.Cell, 44, 2011
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4KMQ
| 1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from Listeria monocytogenes EGD-e | Descriptor: | Lmo2446 protein, MAGNESIUM ION | Authors: | Halavaty, A.S, Minasov, G, Filippova, E.V, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-05-08 | Release date: | 2013-05-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure to function of an alpha-glucan metabolic pathway that promotes Listeria monocytogenes pathogenesis. Nat Microbiol, 2, 2016
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