1HAY
| Snapshots of serine protease catalysis: (B) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 10 seconds | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | Deposit date: | 2001-04-10 | Release date: | 2001-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
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2WZ6
| G93A SOD1 mutant complexed with Quinazoline. | Descriptor: | 4-(4-METHYL-1,4-DIAZEPAN-1-YL)-2-(TRIFLUOROMETHYL)QUINAZOLINE, COPPER (II) ION, SULFATE ION, ... | Authors: | Antonyuk, S.V, Strange, R.W, Hasnain, S.S. | Deposit date: | 2009-11-23 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Discovery of Small Molecule Binding Sites in Cu-Zn Human Superoxide Dismutase Familial Amyotrophic Lateral Sclerosis Mutants Provides Insights for Lead Optimization. J.Med.Chem., 53, 2010
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2WS0
| Semi-synthetic analogue of human insulin NMeAlaB26-insulin at pH 7.5 | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN | Authors: | Brzozowski, A.M, Jiracek, J, Zakova, L, Antolikova, E, Watson, C.J, Turkenburg, J.P, Dodson, G.G. | Deposit date: | 2009-09-03 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Implications for the Active Form of Human Insulin Based on the Structural Convergence of Highly Active Hormone Analogues. Proc.Natl.Acad.Sci.USA, 107, 2010
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3Q3T
| Alkyl Amine Renin Inhibitors: Filling S1 from S3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Wu, Z, McKeever, B. | Deposit date: | 2010-12-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket. Bioorg.Med.Chem.Lett., 21, 2011
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2WTH
| Low resolution 3D structure of C.elegans globin-like protein (GLB-1): P3121 crystal form | Descriptor: | GLOBIN-LIKE PROTEIN, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Geuens, E, Hoogewijs, D, Nardini, M, Vinck, E, Pesce, A, Kiger, L, Fago, A, Tilleman, L, De Henau, S, Marden, M, Weber, R.E, Van Doorslaer, S, Vanfleteren, J, Moens, L, Bolognesi, M, Dewilde, S. | Deposit date: | 2009-09-16 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Globin-Like Proteins in Caenorhabditis Elegans: In Vivo Localization, Ligand Binding and Structural Properties. Bmc Biochem., 11, 2010
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4JLT
| Crystal structure of P450 2B4(H226Y) in complex with paroxetine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2013-03-13 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. J.Pharmacol.Exp.Ther., 346, 2013
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3Q40
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2WV7
| Intracellular subtilisin precursor from B. clausii | Descriptor: | INTRACELLULAR SUBTILISIN PROTEASE, SODIUM ION | Authors: | Vevodova, J, Gamble, M, Ariza, A, Dodson, E, Jones, D.D, Wilson, K.S. | Deposit date: | 2009-10-15 | Release date: | 2010-09-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of an Intracellular Subtilisin Reveals Novel Structural Features Unique to This Subtilisin Family. Structure, 18, 2010
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4BAS
| Structure of the Arl6 BBS3 Small GTPase from Trypanosoma brucei with bound nucleotide analogue GppNp | Descriptor: | ADP-RIBOSYLATION FACTOR, PUTATIVE (SMALL GTPASE, PUTATIVE), ... | Authors: | Hemsworth, G.R, Price, H.P, Smith, D.F, Wilson, K.S. | Deposit date: | 2012-09-15 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Small Gtpase Arl6/Bbs3 from Trypanosomabrucei. Protein Sci., 22, 2013
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4AUC
| Bovine chymosin in complex with Pepstatin A | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHYMOSIN, ... | Authors: | Langholm Jensen, J, Navarro Poulsen, J.C, Jacobsen, J, van den Brink, J.M, Qvist, K.B, Larsen, S. | Deposit date: | 2012-05-16 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure of Bovine Chymosin in Complex with Pepstatin A To be Published
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4JK6
| Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Aba) | Descriptor: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | Deposit date: | 2013-03-09 | Release date: | 2013-07-17 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids. Chembiochem, 14, 2013
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4AVD
| C.lacteus nerve Hb in complex with CO | Descriptor: | ACETATE ION, CARBON MONOXIDE, GLYCEROL, ... | Authors: | Germani, F, Pesce, A, Venturini, A, Moens, L, Bolognesi, M, Dewilde, S, Nardini, M. | Deposit date: | 2012-05-25 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High Resolution Crystal Structures of the Cerebratulus Lacteus Mini-Hb in the Unligated and Carbomonoxy States. Int.J.Mol.Sci., 13, 2012
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2X2N
| X-ray structure of cyp51 from trypanosoma brucei in complex with posaconazole in two different conformations | Descriptor: | LANOSTEROL 14-ALPHA-DEMETHYLASE, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Chen, C.-K, Leung, S.S.F, Guilbert, C, Jacobson, M, McKerrow, J.H, Podust, L.M. | Deposit date: | 2010-01-14 | Release date: | 2010-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole Plos Negl Trop Dis, 4, 2010
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4B3W
| Crystal structure of human cytoglobin H(E7)Q mutant | Descriptor: | ACETATE ION, CYANIDE ION, CYTOGLOBIN, ... | Authors: | Gabba, M, Abbruzzetti, S, Spyrakis, F, Forti, F, Bruno, S, Mozzarelli, A, Luque, F.J, Viappiani, C, Cozzini, P, Nardini, M, Germani, F, Bolognesi, M, Moens, L, Dewilde, S. | Deposit date: | 2012-07-26 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Co Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin. Plos One, 8, 2013
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4KEW
| structure of the A82F BM3 heme domain in complex with omeprazole | Descriptor: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D. | Deposit date: | 2013-04-26 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias. J.Biol.Chem., 288, 2013
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7XGY
| cryo-EM structure of hemoglobin | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Liu, N, Wang, H.W. | Deposit date: | 2022-04-07 | Release date: | 2022-11-09 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Uniform thin ice on ultraflat graphene for high-resolution cryo-EM. Nat.Methods, 20, 2023
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2X1V
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3PPX
| Crystal structure of the N1602A mutant of an engineered VWF A2 domain (N1493C and C1670S) | Descriptor: | SODIUM ION, von Willebrand factor | Authors: | Zhou, M, Dong, X, Zhong, C, Ding, J. | Deposit date: | 2010-11-25 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13 Blood, 117, 2011
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1HAX
| Snapshots of serine protease catalysis: (A) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 at pH 5 | Descriptor: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ... | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | Deposit date: | 2001-04-10 | Release date: | 2001-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
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3PI2
| Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 8.0 | Descriptor: | FORMIC ACID, Hemoglobin II, OXYGEN MOLECULE, ... | Authors: | Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2010-11-05 | Release date: | 2011-11-09 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata To be Published
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4KGA
| Crystal structure of kallikrein-related peptidase 4 | Descriptor: | 1,2-ETHANEDIOL, Kallikrein-4, NICKEL (II) ION | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | Deposit date: | 2013-04-29 | Release date: | 2014-04-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
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4BCZ
| Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form. | Descriptor: | SUPEROXIDE DISMUTASE [CU-ZN] | Authors: | Saraboji, K, Awad, W, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T. | Deposit date: | 2012-10-03 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Global Structural Motions from the Strain of a Single Hydrogen Bond. Proc.Natl.Acad.Sci.USA, 110, 2013
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4DFG
| Crystal Structure of Wild-type HIV-1 Protease with Cyclopentyltetrahydro- furanyl Urethanes as P2-ligand, GRL-0249A | Descriptor: | CHLORIDE ION, Protease, SODIUM ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2012-01-23 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4KMV
| Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL | Descriptor: | 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase A, ... | Authors: | Wang, C, Lovelace, L, Lebioda, L. | Deposit date: | 2013-05-08 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I. Biochemistry, 52, 2013
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3PT8
| Structure of HbII-III-CN from Lucina pectinata at pH 5.0 | Descriptor: | CYANIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata. To be Published
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