2BG8
 
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT and 1mM TCEP-HCl were used as reducing agents. | | Descriptor: | BETA-LACTAMASE II, GLYCEROL, SULFATE ION, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-17 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism
Biochemistry, 44, 2005
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2BG2
 | | Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20mM ZnSO4 in the buffer. 1mM DTT and 1mM TCEP- HCl were used as reducing agents. Cys221 is reduced. | | Descriptor: | BETA-LACTAMASE II, CHLORIDE ION, GLYCEROL, ... | | Authors: | Davies, A.M, Rasia, R.M, Vila, A.J, Sutton, B.J, Fabiane, S.M. | | Deposit date: | 2004-12-16 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism.
Biochemistry, 44, 2005
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2Z26
 | | Thr110Ala dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, MALONATE ION, ... | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-05-17 | | Release date: | 2007-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
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1K33
 | | Crystal structure analysis of the gp41 core mutant | | Descriptor: | Transmembrane glycoprotein GP41 | | Authors: | Shu, W, Lu, M. | | Deposit date: | 2001-10-01 | | Release date: | 2001-10-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Interhelical interactions in the gp41 core: implications for activation of HIV-1 membrane fusion.
Biochemistry, 41, 2002
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2Z2B
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1SNX
 | | CRYSTAL STRUCTURE OF APO INTERLEUKIN-2 TYROSINE KINASE CATALYTIC DOMAIN | | Descriptor: | Tyrosine-protein kinase ITK/TSK | | Authors: | Brown, K, Long, J.M, Vial, S.C, Dedi, N, Dunster, N.J, Renwick, S.B, Tanner, A.J, Frantz, J.D, Fleming, M.A, Cheetham, G.M.T. | | Deposit date: | 2004-03-12 | | Release date: | 2004-07-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors.
J.Biol.Chem., 279, 2004
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5AGR
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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3EBK
 | | Crystal structure of major allergens, Bla g 4 from cockroaches | | Descriptor: | Allergen Bla g 4 | | Authors: | Tan, Y.W, Chan, S.L, Chew, F.T, Sivaraman, J, Mok, Y.K. | | Deposit date: | 2008-08-28 | | Release date: | 2008-12-02 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of two major allergens, Bla g 4 and Per a 4, from cockroaches and their IgE binding epitopes.
J.Biol.Chem., 284, 2008
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1JY7
 | | THE STRUCTURE OF HUMAN METHEMOGLOBIN. THE VARIATION OF A THEME | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Biswal, B.K, Vijayan, M. | | Deposit date: | 2001-09-11 | | Release date: | 2002-03-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of human oxy- and deoxyhaemoglobin at different levels of humidity: variability in the T state.
Acta Crystallogr.,Sect.D, 58, 2002
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3VGU
 | | E134A mutant nucleoside diphosphate kinase derived from Halomonas sp. 593 | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Okazaki, N, Yonezawa, Y, Arai, S, Matsumoto, F, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R. | | Deposit date: | 2011-08-21 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A structural mechanism for dimeric to tetrameric oligomer conversion in Halomonas sp. nucleoside diphosphate kinase
Protein Sci., 21, 2012
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1K0F
 | | Crystal structure of Zn(II)-free T. pallidum TroA | | Descriptor: | Periplasmic zinc-binding protein troA | | Authors: | Lee, Y.H, Dorwart, M.R, Hazlett, K.R, Deka, R.K, Norgard, M.V, Radolf, J.D, Hasemann, C.A. | | Deposit date: | 2001-09-19 | | Release date: | 2002-04-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of Zn(II)-free Treponema pallidum TroA, a periplasmic metal-binding protein, reveals a closed conformation.
J.Bacteriol., 184, 2002
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2Z92
 | | Crystal structure of the Fab fragment of anti-ciguatoxin antibody 10C9 in complex with CTX3C_ABCDE | | Descriptor: | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL, Anti-ciguatoxin antibody 10C9 Fab heavy chain, Anti-ciguatoxin antibody 10C9 Fab light chain, ... | | Authors: | Ui, M, Tanaka, Y, Tsumoto, K. | | Deposit date: | 2007-09-14 | | Release date: | 2008-05-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | How Protein Recognizes Ladder-like Polycyclic Ethers: INTERACTIONS BETWEEN CIGUATOXIN (CTX3C) FRAGMENTS AND ITS SPECIFIC ANTIBODY 10C9
J.Biol.Chem., 283, 2008
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1JN3
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8OFF
 | | Structure of BARD1 ARD-BRCTs in complex with H2AKc15ub nucleosomes (Map1) | | Descriptor: | BRCA1 associated RING domain 1, DNA (142-MER), Histone H2A type 1, ... | | Authors: | Foglizzo, M, Burdett, H, Wilson, M.D, Zeqiraj, E. | | Deposit date: | 2023-03-15 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | BRCA1-BARD1 combines multiple chromatin recognition modules to bridge nascent nucleosomes.
Nucleic Acids Res., 51, 2023
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1JTU
 | | E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-22 | | Release date: | 2001-09-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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1ESZ
 | | STRUCTURE OF THE PERIPLASMIC FERRIC SIDEROPHORE BINDING PROTEIN FHUD COMPLEXED WITH COPROGEN | | Descriptor: | COPROGEN, FERRICHROME-BINDING PERIPLASMIC PROTEIN | | Authors: | Clarke, T.E, Braun, V, Winkelmann, G, Tari, L.W, Vogel, H.J. | | Deposit date: | 2000-04-11 | | Release date: | 2002-04-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystallographic structures of the Escherichia coli periplasmic protein FhuD bound to hydroxamate-type siderophores and the antibiotic albomycin.
J.Biol.Chem., 277, 2002
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8P0D
 | | Human 14-3-3 sigma in complex with human MDM2 peptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Roversi, P, Ward, J, Doveston, R, Kwon, H, Romartinez Alonso, B. | | Deposit date: | 2023-05-10 | | Release date: | 2024-02-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Characterizing the protein-protein interaction between MDM2 and 14-3-3 sigma ; proof of concept for small molecule stabilization.
J.Biol.Chem., 300, 2024
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6K86
 | | The closed state of RGLG1 mutant-E378A | | Descriptor: | E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION, SODIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.593 Å) | | Cite: | The closed state of RGLG1 mutant-E378A
To Be Published
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6K8B
 | | The open state of RGLG1 VWA domain | | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | The open state of RGLG1 VWA domain
To Be Published
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1JXJ
 | | Role of mobile loop in the mechanism of human salivary amylase | | Descriptor: | Alpha-amylase, salivary, CALCIUM ION, ... | | Authors: | Ramasubbu, N, Ragunath, C, Wang, Z, Mishra, P.J, Thomas, L.M. | | Deposit date: | 2001-09-07 | | Release date: | 2001-09-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Human salivary alpha-amylase Trp58 situated at subsite -2 is critical for enzyme activity.
Eur.J.Biochem., 271, 2004
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1EBT
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2Z93
 | | Crystal structure of Fab fragment of anti-ciguatoxin antibody 10C9 in complex with CTX3C-ABCD | | Descriptor: | 1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL, Anti-ciguatoxin antibody 10C9 Fab heavy chain, Anti-ciguatoxin antibody 10C9 Fab light chain | | Authors: | Ui, M, Tanaka, Y, Tsumoto, K. | | Deposit date: | 2007-09-14 | | Release date: | 2008-05-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | How Protein Recognizes Ladder-like Polycyclic Ethers: INTERACTIONS BETWEEN CIGUATOXIN (CTX3C) FRAGMENTS AND ITS SPECIFIC ANTIBODY 10C9
J.Biol.Chem., 283, 2008
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1PF3
 | | Crystal Structure of the M441L mutant of the multicopper oxidase CueO | | Descriptor: | Blue copper oxidase cueO, COPPER (II) ION, CU-CL-CU LINKAGE | | Authors: | Roberts, S.A, Wildner, G.F, Grass, G, Weichsel, A, Ambrus, A, Rensing, C, Montfort, W.R. | | Deposit date: | 2003-05-23 | | Release date: | 2003-06-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Labile Regulatory Copper Ion Lies Near the T1 Copper Site in the Multicopper Oxidase CueO.
J.Biol.Chem., 278, 2003
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1TID
 | | Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA: Poised for phosphorylation complex with ATP, crystal form I | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma F factor, Anti-sigma F factor antagonist, ... | | Authors: | Masuda, S, Murakami, K.S, Wang, S, Olson, C.A, Donigan, J, Leon, F, Darst, S.A, Campbell, E.A. | | Deposit date: | 2004-06-02 | | Release date: | 2004-06-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of the ADP and ATP Bound Forms of the Bacillus Anti-sigma Factor SpoIIAB in Complex with the Anti-anti-sigma SpoIIAA.
J.Mol.Biol., 340, 2004
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2ZGX
 | | Thrombin Inhibition | | Descriptor: | 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-01-28 | | Release date: | 2008-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
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