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1P9S
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Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
分子名称: 1,4-DIETHYLENE DIOXIDE, Replicase polyprotein 1ab
著者Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R.
登録日2003-05-12
公開日2003-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003
1ONH
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GC1 beta-lactamase with a penem inhibitor
分子名称: 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
著者Nukaga, M, Nukaga, K, Knox, J.R.
登録日2003-02-27
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate
Biochemistry, 42, 2003
1OTJ
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BU of 1otj by Molmil
Crystal structure of APO (iron-free) TauD
分子名称: 2-AMINOETHANESULFONIC ACID, Alpha-Ketoglutarate-Dependent Taurine Dioxygenase, CHLORIDE ION
著者O'Brien, J.R, Schuller, D.J, Yang, V.S, Dillard, B.D, Lanzilotta, W.N.
登録日2003-03-21
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate-induced conformational changes in Escherichia coli taurine/alpha-ketoglutarate dioxygenase and insight into the oligomeric structure
Biochemistry, 42, 2003
1P57
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Extracellular domain of human hepsin
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin
著者Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A.
登録日2003-04-25
公開日2004-01-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain
Structure, 11, 2003
1P3W
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X-ray crystal structure of E. coli IscS
分子名称: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
著者Cupp-Vickery, J.R, Vickery, L.E, Urbina, H.
登録日2003-04-18
公開日2003-07-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of IscS, a Cysteine Desulfurase from Escherichia coli
J.Mol.Biol., 330, 2003
1P9U
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Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, PHQ-VNSTLQ-CHLOROMETHYLKETONE INHIBITOR, SULFATE ION, ...
著者Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R.
登録日2003-05-12
公開日2003-05-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003
1PD9
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Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine antifolate Complex with Human Dihydrofolate Reductase
分子名称: 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, SULFATE ION
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
登録日2003-05-19
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1PD8
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Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase
分子名称: 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
登録日2003-05-19
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1PDB
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Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase
分子名称: Dihydrofolate reductase
著者Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
登録日2003-05-19
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1PEG
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BU of 1peg by Molmil
Structural basis for the product specificity of histone lysine methyltransferases
分子名称: Histone H3, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
著者Zhang, X, Yang, Z, Khan, S.I, Horton, J.R, Tamaru, H, Selker, E.U, Cheng, X.
登録日2003-05-21
公開日2003-08-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural basis for the product specificity of histone lysine methyltransferases
Mol.Cell, 12, 2003
1PFB
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Structural Basis for specific binding of polycomb chromodomain to histone H3 methylated at K27
分子名称: ACETIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Min, J.R, Zhang, Y, Xu, R.-M.
登録日2003-05-24
公開日2003-10-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for specific binding of Polycomb chromodomain to histone H3 methylated at Lys 27.
Genes Dev., 17, 2003
1PZO
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BU of 1pzo by Molmil
TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor
分子名称: Beta-lactamase TEM, N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4-TETRAAZOL-5-AMINE
著者Horn, J.R, Shoichet, B.K.
登録日2003-07-14
公開日2004-03-09
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric inhibition through core disruption.
J.Mol.Biol., 336, 2004
1PZP
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TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor
分子名称: 3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE, Beta-lactamase TEM
著者Horn, J.R, Shoichet, B.K.
登録日2003-07-14
公開日2004-03-09
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Allosteric inhibition through core disruption.
J.Mol.Biol., 336, 2004
1Q02
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BU of 1q02 by Molmil
NMR structure of the UBA domain of p62 (SQSTM1)
分子名称: sequestosome 1
著者Ciani, B, Layfield, R, Cavey, J.R, Sheppard, P.W, Searle, M.S.
登録日2003-07-15
公開日2003-09-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the Ubiquitin-associated Domain of p62 (SQSTM1) and Implications for Mutations That Cause Paget's Disease of Bone
J.Biol.Chem., 278, 2003
1Q0S
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BU of 1q0s by Molmil
Binary Structure of T4DAM with AdoHcy
分子名称: DNA adenine methylase, S-ADENOSYL-L-HOMOCYSTEINE
著者Yang, Z, Horton, J.R, Zhou, L, Zhang, X.J, Dong, A, Zhang, X, Schlagman, S.L, Kossykh, V, Hattman, S, Cheng, X.
登録日2003-07-17
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the bacteriophage T4 DNA adenine methyltransferase
Nat.Struct.Biol., 10, 2003
1Q2Q
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Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229
分子名称: (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, GLYCEROL, class C beta-lactamase
著者Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R.
登録日2003-07-25
公開日2004-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
1NE3
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BU of 1ne3 by Molmil
Solution structure of ribosomal protein S28E from Methanobacterium Thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH0256_1_68; Northeast Structural Genomics Target TT744
分子名称: 30S ribosomal protein S28E
著者Wu, B, Pineda-Lucena, A, Yee, A, Cort, J.R, Ramelot, T.A, Kennedy, M, Edwards, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
登録日2002-12-10
公開日2003-12-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of ribosomal protein S28E from Methanobacterium thermoautotrophicum.
Protein Sci., 12, 2003
1O2T
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ...
著者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.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O30
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION, ...
著者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.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O37
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION
著者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.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O3E
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ...
著者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.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O3O
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION
著者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.
登録日2003-03-06
公開日2003-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
1O5D
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Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Coagulation factor VII, Tissue factor
著者Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
登録日2003-09-09
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
1NPR
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CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS NUSG IN C222(1)
分子名称: Transcription antitermination protein nusG
著者Knowlton, J.R, Bubunenko, M, Andrykovitch, M, Guo, W, Routzhan, K.M, Waugh, D.S, Court, D.L, Ji, X.
登録日2003-01-18
公開日2003-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A Spring-Loaded State of NusG in Its Functional Cycle Is Suggested by X-ray Crystallography and Supported by Site-Directed Mutants
Biochemistry, 42, 2003
1O2K
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J.
登録日2003-03-06
公開日2003-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003

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