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1JUD
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BU of 1jud by Molmil
L-2-HALOACID DEHALOGENASE
Descriptor: L-2-HALOACID DEHALOGENASE
Authors:Hisano, T, Hata, Y, Fujii, T, Liu, J.-Q, Kurihara, T, Esaki, N, Soda, K.
Deposit date:1996-06-03
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of L-2-haloacid dehalogenase from Pseudomonas sp. YL. An alpha/beta hydrolase structure that is different from the alpha/beta hydrolase fold.
J.Biol.Chem., 271, 1996
2B2K
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BU of 2b2k by Molmil
structure of Y104F IDI-1 mutant in complex with EIPP
Descriptor: 4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ...
Authors:Wouters, J.
Deposit date:2005-09-19
Release date:2006-09-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural role for Tyr-104 in Escherichia coli isopentenyl-diphosphate isomerase: site-directed mutagenesis, enzymology, and protein crystallography
J.Biol.Chem., 281, 2006
8GWS
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BU of 8gws by Molmil
SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4
Descriptor: Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG
Authors:Liu, M, Fu, Z, Huang, H.
Deposit date:2022-09-17
Release date:2023-08-23
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
1JZQ
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Isoleucyl-tRNA synthetase Complexed with Isoleucyl-adenylate analogue
Descriptor: Isoleucyl-tRNA synthetase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ZINC ION
Authors:Nakama, T, Nureki, O, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2001-09-17
Release date:2001-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the recognition of isoleucyl-adenylate and an antibiotic, mupirocin, by isoleucyl-tRNA synthetase.
J.Biol.Chem., 276, 2001
2B3Z
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Crystal structure of a bifunctional deaminase and reductase involved in riboflavin biosynthesis
Descriptor: Riboflavin biosynthesis protein ribD, ZINC ION
Authors:Chen, S.J, Chang, Y.C, Liaw, S.H.
Deposit date:2005-09-22
Release date:2005-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal structure of a bifunctional deaminase and reductase involved in riboflavin biosynthesis
To be Published
1JVQ
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Crystal structure at 2.6A of the ternary complex between antithrombin, a P14-P8 reactive loop peptide, and an exogenous tetrapeptide
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTITHROMBIN-III, ...
Authors:Zhou, A, Huntington, J.A, Lomas, D.A, Carrell, R.W, Stein, P.E.
Deposit date:2001-08-31
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:How small peptides block and reverse serpin polymerisation
J.Mol.Biol., 342, 2004
2B5I
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cytokine receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common gamma chain, ...
Authors:Wang, X, Rickert, M, Garcia, K.C.
Deposit date:2005-09-28
Release date:2005-11-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the quaternary complex of interleukin-2 with its alpha, beta, and gammac receptors.
Science, 310, 2005
8HKQ
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BU of 8hkq by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-27
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8H9F
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BU of 8h9f by Molmil
Human ATP synthase state 1 subregion 3
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z.
Deposit date:2022-10-25
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structure of the human ATP synthase.
Mol.Cell, 83, 2023
8HKK
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BU of 8hkk by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-27
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HIR
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BU of 8hir by Molmil
potassium channels
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-21
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKM
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BU of 8hkm by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-27
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HK6
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BU of 8hk6 by Molmil
potassium channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-25
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
2ALD
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BU of 2ald by Molmil
HUMAN MUSCLE ALDOLASE
Descriptor: FRUCTOSE-BISPHOSPHATE ALDOLASE
Authors:Dalby, A.R, Littlechild, J.A.
Deposit date:1998-10-21
Release date:1999-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human muscle aldolase complexed with fructose 1,6-bisphosphate: mechanistic implications.
Protein Sci., 8, 1999
2AMC
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BU of 2amc by Molmil
Crystal structure of Phenylalanyl-tRNA synthetase complexed with L-tyrosine
Descriptor: MAGNESIUM ION, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ...
Authors:Kotik-Kogan, O, Moor, N, Tworowski, D, Safro, M.
Deposit date:2005-08-09
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Discrimination of L-Phenylalanine from L-Tyrosine by Phenylalanyl-tRNA Synthetase
Structure, 13, 2005
8H7L
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BU of 8h7l by Molmil
Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ...
Authors:Liu, Z, Yan, A, Gao, Y.
Deposit date:2022-10-20
Release date:2023-08-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
1K2T
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BU of 1k2t by Molmil
Structure of rat brain nNOS heme domain complexed with S-ethyl-N-phenyl-isothiourea
Descriptor: 2-ETHYL-1-PHENYL-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
Deposit date:2001-09-28
Release date:2003-03-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of rat brain nNOS heme domain
To be Published
1JAW
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BU of 1jaw by Molmil
AMINOPEPTIDASE P FROM E. COLI LOW PH FORM
Descriptor: ACETATE ION, AMINOPEPTIDASE P, MANGANESE (II) ION
Authors:Wilce, M.C.J, Bond, C.S, Lilley, P.E, Dixon, N.E, Freeman, H.C, Guss, J.M.
Deposit date:1997-12-22
Release date:1999-04-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and mechanism of a proline-specific aminopeptidase from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 95, 1998
8HKF
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BU of 8hkf by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION
Authors:Jiang, D.H, Zhang, Z.T.
Deposit date:2022-11-25
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
2B3T
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BU of 2b3t by Molmil
Structure of complex between E. coli translation termination factor RF1 and the PrmC methyltransferase
Descriptor: Peptide chain release factor 1, Protein methyltransferase hemK, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Graille, M, Heurgue-Hamard, V, Champ, S, Mora, L, Scrima, N, Ulryck, N, van Tilbeurgh, H, Buckingham, R.H.
Deposit date:2005-09-21
Release date:2006-01-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular basis for bacterial class I release factor methylation by PrmC
Mol.Cell, 20, 2005
2B4X
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BU of 2b4x by Molmil
Crystal Structure of Antithrombin-III
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III
Authors:Adams, T.E, Huntington, J.A, Johnson, D.J.D, Bock, S.C.
Deposit date:2005-09-27
Release date:2006-10-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Antithrombin-III
To be Published
2B7D
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BU of 2b7d by Molmil
Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model
Descriptor: (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor
Authors:Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R.
Deposit date:2005-10-04
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model.
Bioorg.Med.Chem.Lett., 16, 2006
2AW1
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BU of 2aw1 by Molmil
Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II "selective" inhibitor Celecoxib
Descriptor: 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ...
Authors:Di Fiore, A, Pedone, C, D'Ambrosio, K, Scozzafava, A, De Simone, G, Supuran, C.T.
Deposit date:2005-08-31
Release date:2006-07-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II
Bioorg.Med.Chem.Lett., 16, 2006
1JZS
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BU of 1jzs by Molmil
Isoleucyl-tRNA synthetase Complexed with mupirocin
Descriptor: Isoleucyl-tRNA synthetase, MUPIROCIN, ZINC ION
Authors:Nakama, T, Nureki, O, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2001-09-17
Release date:2001-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the recognition of isoleucyl-adenylate and an antibiotic, mupirocin, by isoleucyl-tRNA synthetase.
J.Biol.Chem., 276, 2001
1JI2
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BU of 1ji2 by Molmil
Improved X-ray Structure of Thermoactinomyces vulgaris R-47 alpha-Amylase 2
Descriptor: ALPHA-AMYLASE II, CALCIUM ION
Authors:Kamitori, S, Abe, A, Ohtaki, A, Kaji, A, Tonozuka, T, Sakano, Y.
Deposit date:2001-06-28
Release date:2002-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures and structural comparison of Thermoactinomyces vulgaris R-47 alpha-amylase 1 (TVAI) at 1.6 A resolution and alpha-amylase 2 (TVAII) at 2.3 A resolution.
J.Mol.Biol., 318, 2002

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