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1S5D
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Cholera holotoxin with an A-subunit Y30S mutation, Crystal form 2
分子名称: Cholera enterotoxin, A chain, GLYCEROL, ...
著者O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G.
登録日2004-01-20
公開日2004-04-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of an intrinsically active cholera toxin mutant yield insight into the toxin activation mechanism
Biochemistry, 43, 2004
1RF2
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Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4
分子名称: 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ...
著者Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
登録日2003-11-07
公開日2004-10-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
1RD9
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Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2
分子名称: 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE GLYCOL, ...
著者Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
登録日2003-11-05
公開日2004-10-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
1RCV
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BU of 1rcv by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1
分子名称: [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB)
著者Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
登録日2003-11-04
公開日2004-10-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
1S5F
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BU of 1s5f by Molmil
Cholera holotoxin, Crystal form 2
分子名称: Cholera enterotoxin, A chain, SODIUM ION, ...
著者O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G.
登録日2004-01-20
公開日2004-04-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of an intrinsically active cholera toxin mutant yield insight into the toxin activation mechanism
Biochemistry, 43, 2004
1S5E
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BU of 1s5e by Molmil
Cholera holotoxin, Crystal form 1
分子名称: Cholera enterotoxin, A chain precursor, SODIUM ION, ...
著者O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G.
登録日2004-01-20
公開日2004-04-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of an intrinsically active cholera toxin mutant yield insight into the toxin activation mechanism
Biochemistry, 43, 2004
1S5B
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Cholera holotoxin with an A-subunit Y30S mutation Form 3
分子名称: Cholera enterotoxin, A chain precursor, SODIUM ION, ...
著者O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G.
登録日2004-01-20
公開日2004-04-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal structures of an intrinsically active cholera toxin mutant yield insight into the toxin activation mechanism
Biochemistry, 43, 2004
1R59
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Enterococcus casseliflavus glycerol kinase
分子名称: Glycerol kinase
著者Yeh, J.I, Charrier, V, Paulo, J, Hou, L, Darbon, E, Claiborne, A, Hol, W.G, Deutscher, J.
登録日2003-10-09
公開日2004-10-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Enterococcal Glycerol Kinase in the Absence and Presence of Glycerol: Correlation of conformation to substrate binding and a mechanism of activation by phosphorylation
Biochemistry, 43, 2004
1RDP
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BU of 1rdp by Molmil
Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3
分子名称: 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ...
著者Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E.
登録日2003-11-05
公開日2004-10-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
1BI0
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BU of 1bi0 by Molmil
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
分子名称: DIPHTHERIA TOXIN REPRESSOR, SULFATE ION, ZINC ION
著者Pohl, E, Hol, W.G.
登録日1998-06-21
公開日1999-07-22
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
1A35
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BU of 1a35 by Molmil
HUMAN TOPOISOMERASE I/DNA COMPLEX
分子名称: DNA (5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*AP*(BRU)P*(BRU)P*TP*TP*T)-3'), DNA (5'-D(*AP*AP*AP*AP*AP*TP*+UP*+UP*+UP*+UP*CP*+UP*AP*AP*GP*TP*CP*TP*TP*TP*+ UP*T)-3'), PROTEIN (DNA TOPOISOMERASE I)
著者Redinbo, M.R, Stewart, L, Kuhn, P, Champoux, J.J, Hol, W.G.
登録日1998-01-29
公開日1998-08-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human topoisomerase I in covalent and noncovalent complexes with DNA.
Science, 279, 1998
1B5S
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DIHYDROLIPOYL TRANSACETYLASE (E.C.2.3.1.12) CATALYTIC DOMAIN (RESIDUES 184-425) FROM BACILLUS STEAROTHERMOPHILUS
分子名称: DIHYDROLIPOAMIDE ACETYLTRANSFERASE
著者Izard, T, Aevarsson, A, Allen, M.D, Westphal, A.H, Perham, R.N, De Kok, A, Hol, W.G.
登録日1999-01-10
公開日1999-02-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Principles of quasi-equivalence and Euclidean geometry govern the assembly of cubic and dodecahedral cores of pyruvate dehydrogenase complexes.
Proc.Natl.Acad.Sci.USA, 96, 1999
1DG5
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BU of 1dg5 by Molmil
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND TRIMETHOPRIM
分子名称: DIHYDROFOLATE REDUCTASE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G.
登録日1999-11-23
公開日2000-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
1B1B
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IRON DEPENDENT REGULATOR
分子名称: PROTEIN (IRON DEPENDENT REGULATOR), SULFATE ION, ZINC ION
著者Pohl, E, Holmes, R.K, Hol, W.G.
登録日1998-11-19
公開日1999-12-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the iron-dependent regulator (IdeR) from Mycobacterium tuberculosis shows both metal binding sites fully occupied.
J.Mol.Biol., 285, 1999
1C0W
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BU of 1c0w by Molmil
CRYSTAL STRUCTURE OF THE COBALT-ACTIVATED DIPHTHERIA TOXIN REPRESSOR-DNA COMPLEX REVEALS A METAL BINDING SH-LIKE DOMAIN
分子名称: COBALT (II) ION, DIPHTHERIA TOXIN REPRESSOR, DNA (5'-D(P*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*CP*CP*TP*AP*CP*CP*CP*TP*AP*AP*T)-3'), ...
著者Pohl, E, Holmes, R.K, Hol, W.G.
登録日1999-07-22
公開日2000-07-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a cobalt-activated diphtheria toxin repressor-DNA complex reveals a metal-binding SH3-like domain.
J.Mol.Biol., 292, 1999
1DG8
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DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH
分子名称: DIHYDROFOLATE REDUCTASE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G.
登録日1999-11-23
公開日2000-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
1DF7
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DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND METHOTREXATE
分子名称: DIHYDROFOLATE REDUCTASE, GLYCEROL, METHOTREXATE, ...
著者Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G.
登録日1999-11-17
公開日2000-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
1DG7
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DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND 4-BROMO WR99210
分子名称: 1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ...
著者Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G.
登録日1999-11-23
公開日2000-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
1EJ9
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CRYSTAL STRUCTURE OF HUMAN TOPOISOMERASE I DNA COMPLEX
分子名称: DNA (5'-D(*C*AP*AP*AP*AP*AP*GP*AP*CP*TP*CP*AP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*C*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*GP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3'), DNA TOPOISOMERASE I
著者Redinbo, M.R, Champoux, J.J, Hol, W.G.
登録日2000-03-01
公開日2000-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel insights into catalytic mechanism from a crystal structure of human topoisomerase I in complex with DNA.
Biochemistry, 39, 2000
6TIM
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THE ADAPTABILITY OF THE ACTIVE SITE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AS OBSERVED IN THE CRYSTAL STRUCTURES OF THREE DIFFERENT COMPLEXES
分子名称: SN-GLYCEROL-3-PHOSPHATE, TRIOSEPHOSPHATE ISOMERASE
著者Noble, M.E.M, Wierenga, R.K, Hol, W.G.J.
登録日1991-04-23
公開日1992-10-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes.
Proteins, 10, 1991
3TIM
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THE CRYSTAL STRUCTURE OF THE "OPEN" AND THE "CLOSED" CONFORMATION OF THE FLEXIBLE LOOP OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE
分子名称: TRIOSEPHOSPHATE ISOMERASE
著者Wierenga, R.K.
登録日1990-05-15
公開日1991-10-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of the "open" and the "closed" conformation of the flexible loop of trypanosomal triosephosphate isomerase.
Proteins, 10, 1991
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
分子名称: 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-07-10
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
4TIM
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CRYSTALLOGRAPHIC AND MOLECULAR MODELING STUDIES ON TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE: A CRITICAL ASSESSMENT OF THE PREDICTED AND OBSERVED STRUCTURES OF THE COMPLEX WITH 2-PHOSPHOGLYCERATE
分子名称: 2-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Nobel, M.E.M, Wierenga, R.K, Hol, W.G.J.
登録日1991-04-11
公開日1992-10-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic and molecular modeling studies on trypanosomal triosephosphate isomerase: a critical assessment of the predicted and observed structures of the complex with 2-phosphoglycerate.
J.Med.Chem., 34, 1991
3C3W
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BU of 3c3w by Molmil
Crystal Structure of the Mycobacterium tuberculosis Hypoxic Response Regulator DosR
分子名称: SULFATE ION, TWO COMPONENT TRANSCRIPTIONAL REGULATORY PROTEIN DEVR
著者Wisedchaisri, G, Wu, M, Sherman, D.R, Hol, W.G.J.
登録日2008-01-28
公開日2008-04-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the response regulator DosR from Mycobacterium tuberculosis suggest a helix rearrangement mechanism for phosphorylation activation
J.Mol.Biol., 378, 2008
4WG5
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
分子名称: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-09-17
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published

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