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1O3A
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
Deposit date:2003-03-06
Release date:2003-09-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O3H
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
Deposit date:2003-03-06
Release date:2003-09-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O3N
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
Deposit date:2003-03-06
Release date:2003-09-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1X8O
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1.01 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Complexed With Nitric Oxide at pH 5.6
Descriptor: NITRIC OXIDE, Nitrophorin 4, PHOSPHATE ION, ...
Authors:Kondrashov, D.A, Roberts, S.A, Weichsel, A, Montfort, W.R.
Deposit date:2004-08-18
Release date:2004-10-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Protein functional cycle viewed at atomic resolution: conformational change and mobility in nitrophorin 4 as a function of pH and NO binding
Biochemistry, 43, 2004
1RXK
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BU of 1rxk by Molmil
crystal structure of streptavidin mutant (M3) a combination of M1+M2
Descriptor: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Streptavidin
Authors:Eisenberg-Domovich, Y, Pazy, Y, Nir, O, Raboy, B, Bayer, E.A, Wilchek, M, Livnah, O.
Deposit date:2003-12-18
Release date:2004-05-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural elements responsible for conversion of streptavidin to a pseudoenzyme.
Proc.Natl.Acad.Sci.USA, 101, 2004
7JOB
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BU of 7job by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, ...
Authors:Andring, J.T, McKenna, R.
Deposit date:2020-08-06
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.381 Å)
Cite:Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
1AJN
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PENICILLIN ACYLASE COMPLEXED WITH P-NITROPHENYLACETIC ACID
Descriptor: 2-(4-NITROPHENYL)ACETIC ACID, CALCIUM ION, PENICILLIN AMIDOHYDROLASE
Authors:Done, S.H.
Deposit date:1997-05-07
Release date:1997-11-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Ligand-induced conformational change in penicillin acylase.
J.Mol.Biol., 284, 1998
7JOV
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BU of 7jov by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
1ACC
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BU of 1acc by Molmil
ANTHRAX PROTECTIVE ANTIGEN
Descriptor: ANTHRAX PROTECTIVE ANTIGEN, CALCIUM ION
Authors:Petosa, C, Liddington, R.C.
Deposit date:1997-02-05
Release date:1998-02-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the anthrax toxin protective antigen.
Nature, 385, 1997
7JRG
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BU of 7jrg by Molmil
Plant Mitochondrial complex III2 from Vigna radiata
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Alpha-MPP, ...
Authors:Maldonado, M, Letts, J.A.
Deposit date:2020-08-12
Release date:2021-01-20
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Atomic structures of respiratory complex III 2 , complex IV, and supercomplex III 2 -IV from vascular plants.
Elife, 10, 2021
1S0Q
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BU of 1s0q by Molmil
Native Bovine Pancreatic Trypsin
Descriptor: CALCIUM ION, Trypsinogen
Authors:Garcia-Granda, S, Chamorro Gavilanes, J.A.
Deposit date:2004-01-02
Release date:2005-01-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Pancratic bovine Trypsin native and inhibited with Benzamidine from synchotron data.
To be Published
1S5S
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BU of 1s5s by Molmil
Porcine trypsin complexed with guanidine-3-propanol inhibitor
Descriptor: CALCIUM ION, GLYCEROL, GUANIDINE-3-PROPANOL, ...
Authors:Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E.
Deposit date:2004-01-21
Release date:2004-03-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
1AB4
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BU of 1ab4 by Molmil
59KDA FRAGMENT OF GYRASE A FROM E. COLI
Descriptor: GYRASE A
Authors:Cabral, J.H.M, Maxwell, A, Liddington, R.C.
Deposit date:1997-02-03
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the breakage-reunion domain of DNA gyrase.
Nature, 388, 1997
7JVA
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BU of 7jva by Molmil
SARS-CoV-2 spike in complex with the S2A4 neutralizing antibody Fab fragment (local refinement of the receptor-binding domain and Fab variable domains)
Descriptor: S2A4 Fab heavy chain, S2A4 Fab light chain, Spike glycoprotein, ...
Authors:Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-20
Release date:2020-10-14
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
7JSH
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BU of 7jsh by Molmil
Adeno-Associated Virus 2 Rep68 HD Heptamer-ssAAVS1 with ATPgS
Descriptor: DNA (5'-D(P*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*C)-3'), Protein Rep68
Authors:Escalante, C.R.
Deposit date:2020-08-14
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states.
Nucleic Acids Res., 48, 2020
1S8A
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BU of 1s8a by Molmil
H98Q Mutant of Methylglyoxal Synthase from E. coli complexed with Phosphoglycolic Acid
Descriptor: 2-PHOSPHOGLYCOLIC ACID, Methylglyoxal synthase
Authors:Harrison, D.H, Marks, G.T, Susler, M.
Deposit date:2004-01-31
Release date:2004-03-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutagenic studies on histidine 98 of methylglyoxal synthase: effects on mechanism and conformational change.
Biochemistry, 43, 2004
1ODS
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BU of 1ods by Molmil
Cephalosporin C deacetylase from Bacillus subtilis
Descriptor: CEPHALOSPORIN C DEACETYLASE, CHLORIDE ION, MAGNESIUM ION
Authors:Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J.
Deposit date:2003-02-20
Release date:2003-07-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution
J.Mol.Biol., 330, 2003
2EIR
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BU of 2eir by Molmil
Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts
Descriptor: COPPER (II) ION, Thioredoxin 1
Authors:Kobayashi, M.
Deposit date:2007-03-13
Release date:2007-09-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts
J.Mol.Biol., 372, 2007
7K1Q
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BU of 7k1q by Molmil
Solution structure of lantibiotic from Paenibacillus sp.
Descriptor: Lantibiotic CMB001
Authors:Karczewski, J, Diehl, C.
Deposit date:2020-09-08
Release date:2020-11-25
Last modified:2025-04-02
Method:SOLUTION NMR
Cite:Isolation, Characterization and Structure Elucidation of a Novel Lantibiotic From Paenibacillus sp.
Front Microbiol, 11, 2020
1RWQ
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BU of 1rwq by Molmil
Human Dipeptidyl peptidase IV in complex with 5-aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-ylamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE, Dipeptidyl peptidase IV
Authors:Hennig, M, Thoma, R, Stihle, M.
Deposit date:2003-12-17
Release date:2004-12-17
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminomethylpyrimidines as novel DPP-IV inhibitors: a 10(5)-fold activity increase by optimization of aromatic substituents
Bioorg.Med.Chem.Lett., 14, 2004
1NSP
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BU of 1nsp by Molmil
MECHANISM OF PHOSPHATE TRANSFER BY NUCLEOSIDE DIPHOSPHATE KINASE: X-RAY STRUCTURES OF A PHOSPHO-HISTIDINE INTERMEDIATE OF THE ENZYMES FROM DROSOPHILA AND DICTYOSTELIUM
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Janin, J, Morera, S, Chiadmi, M, Lebras, G, Lascu, I.
Deposit date:1995-04-18
Release date:1995-07-10
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of phosphate transfer by nucleoside diphosphate kinase: X-ray structures of the phosphohistidine intermediate of the enzymes from Drosophila and Dictyostelium.
Biochemistry, 34, 1995
1SGP
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BU of 1sgp by Molmil
ALA 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
Descriptor: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
Authors:Huang, K, James, M.N.G.
Deposit date:1995-05-26
Release date:1995-10-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
1A8E
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BU of 1a8e by Molmil
HUMAN SERUM TRANSFERRIN, RECOMBINANT N-TERMINAL LOBE
Descriptor: CARBONATE ION, FE (III) ION, SERUM TRANSFERRIN
Authors:Macgillivray, R.T.A, Moore, S.A, Chen, J, Anderson, B.F, Baker, H, Luo, Y, Bewley, M, Smith, C.A, Murphy, M.E.P, Wang, Y, Mason, A.B, Woodworth, R.C, Brayer, G.D, Baker, E.N.
Deposit date:1998-03-24
Release date:1998-06-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Two high-resolution crystal structures of the recombinant N-lobe of human transferrin reveal a structural change implicated in iron release.
Biochemistry, 37, 1998
1NSQ
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BU of 1nsq by Molmil
MECHANISM OF PHOSPHATE TRANSFER BY NUCLEOSIDE DIPHOSPHATE KINASE: X-RAY STRUCTURES OF A PHOSPHO-HISTIDINE INTERMEDIATE OF THE ENZYMES FROM DROSOPHILA AND DICTYOSTELIUM
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Janin, J, Chiadmi, M, Morera, S, Lebras, G, Lascu, I.
Deposit date:1995-04-24
Release date:1995-07-10
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Mechanism of phosphate transfer by nucleoside diphosphate kinase: X-ray structures of the phosphohistidine intermediate of the enzymes from Drosophila and Dictyostelium.
Biochemistry, 34, 1995
1ZMW
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Catalytic and ubiqutin-associated domains of MARK2/PAR-1: T208A/S212A inactive double mutant
Descriptor: MAP/Microtubule affinity regulating kinase 2
Authors:Panneerselvam, S, Marx, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:2005-05-11
Release date:2006-02-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure of the catalytic and ubiquitin-associated domains of the protein kinase MARK/Par-1.
Structure, 14, 2006

236963

数据于2025-06-04公开中

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