2GHE
| Conformational mobility in the active site of a heme peroxidase | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, cytosolic ascorbate peroxidase 1 | Authors: | Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2006-03-27 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Conformational Mobility in the Active Site of a Heme Peroxidase. J.Biol.Chem., 281, 2006
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6Q9L
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2GIT
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2BLP
| RNase before unattenuated X-RAY burn | Descriptor: | CHLORIDE ION, RIBONUCLEASE PANCREATIC PRECURSOR | Authors: | Nanao, M.H, Ravelli, R.B. | Deposit date: | 2005-03-08 | Release date: | 2005-09-07 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Improving radiation-damage substructures for RIP. Acta Crystallogr. D Biol. Crystallogr., 61, 2005
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7N7G
| Crystal Structure of FosB from Enterococcus faecium with Fosfomycin | Descriptor: | 1,2-ETHANEDIOL, FOSFOMYCIN, MANGANESE (II) ION, ... | Authors: | Shay, M.R, Simmons, Z, Thompson, M.K. | Deposit date: | 2021-06-10 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional characterization of fosfomycin resistance conferred by FosB from Enterococcus faecium. Protein Sci., 31, 2022
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6Q9O
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1Q43
| HCN2I 443-640 in the presence of cAMP, selenomethionine derivative | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | Authors: | Zagotta, W.N, Olivier, N.B, Black, K.D, Young, E.C, Olson, R, Gouaux, J.E. | Deposit date: | 2003-08-01 | Release date: | 2003-09-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for modulation and agonist specificity of HCN pacemaker channels Nature, 425, 2003
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2GD1
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1PXN
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | Descriptor: | 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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5VC3
| CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB | Descriptor: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, CHLORIDE ION, ... | Authors: | Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2017-03-30 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. J. Med. Chem., 60, 2017
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1WXZ
| Crystal structure of adenosine deaminase ligated with a potent inhibitor | Descriptor: | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2005-02-02 | Release date: | 2005-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism J.Med.Chem., 48, 2005
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1PM1
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6FNA
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8TTQ
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2GHC
| Conformational mobility in the active site of a heme peroxidase | Descriptor: | NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | Authors: | Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C. | Deposit date: | 2006-03-27 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Conformational Mobility in the Active Site of a Heme Peroxidase. J.Biol.Chem., 281, 2006
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6MSG
| Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | Authors: | Mao, Y.D. | Deposit date: | 2018-10-16 | Release date: | 2018-11-21 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome. Nature, 565, 2019
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2QUT
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8GDN
| Structure of PmHMGR bound to mevalonate, CoA and NAD. | Descriptor: | (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, COENZYME A, ... | Authors: | Purohit, V, Steussy, C.N, Stauffacher, C.V. | Deposit date: | 2023-03-06 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography. Biophys.J., 123, 2024
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1M99
| Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with glutathione sulfonic acid | Descriptor: | GLUTATHIONE SULFONIC ACID, Glutathione S-Transferase 26kDa | Authors: | Cardoso, R.M.F, Daniels, D.S, Bruns, C.M, Tainer, J.A. | Deposit date: | 2002-07-28 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of the electrophile
binding site and substrate binding
mode of the 26-kDa glutathione
S-transferase from Schistosoma
japonicum PROTEINS: STRUCT.,FUNCT.,GENET., 51, 2003
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5HIW
| Sorangium cellulosum So Ce56 cytochrome P450 260B1 | Descriptor: | Cytochrome P450 CYP260B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Salamanca-Pinzon, S.G, Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. | Deposit date: | 2016-01-12 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-function analysis for the hydroxylation of Delta 4 C21-steroids by the myxobacterial CYP260B1. Febs Lett., 590, 2016
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1M9B
| Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with gamma-glutamyl[S-(2-iodobenzyl)cysteinyl]glycine | Descriptor: | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE, Glutathione S-Transferase 26 kDa | Authors: | Cardoso, R.M.F, Daniels, D.S, Bruns, C.M, Tainer, J.A. | Deposit date: | 2002-07-28 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Characterization of the electrophile
binding site and substrate binding
mode of the 26-kDa glutathione
S-transferase from Schistosoma
japonicum PROTEINS: STRUCT.,FUNCT.,GENET., 51, 2003
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6MRC
| ADP-bound human mitochondrial Hsp60-Hsp10 football complex | Descriptor: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | Authors: | Gomez-Llorente, Y, Jebara, F, Patra, M, Malik, R, Nissemblat, S, Azem, A, Hirsch, J.A, Ubarretxena-Belandia, I. | Deposit date: | 2018-10-12 | Release date: | 2020-04-15 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin. Nat Commun, 11, 2020
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7EDZ
| Crystal Structure of human PPCS in complex with P-HoPan and AMPPNP | Descriptor: | 4-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid, GLYCEROL, MAGNESIUM ION, ... | Authors: | Sharma, N, Mostert, K.J, Strauss, E, Anand, R. | Deposit date: | 2021-03-17 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Coenzyme A Level Modulator Hopantenate (HoPan) Inhibits Phosphopantotenoylcysteine Synthetase Activity. Acs Chem.Biol., 16, 2021
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5CPP
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1UU5
| X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A SOAKED WITH CELLOTETRAOSE | Descriptor: | ACETATE ION, ENDO-BETA-1,4-GLUCANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | Deposit date: | 2003-12-15 | Release date: | 2004-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A J.Mol.Biol., 342, 2004
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