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PDB: 127 件
3CJ0
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Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments
分子名称: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid, RNA-directed RNA polymerase
著者Kissinger, c.
登録日2008-03-12
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4MU3
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BU of 4mu3 by Molmil
The form A structure of an E21Q catalytic mutant of A. thaliana IGPD2 in complex with Mn2+ and a mixture of its substrate, 2R3S-IGP, and an inhibitor, 2S3S-IGP, to 1.12 A resolution
分子名称: (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, (2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, 1,2-ETHANEDIOL, ...
著者Bisson, C, Britton, K.L, Sedelnikova, S.E, Baker, P.J, Rice, D.W.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
3CJ2
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Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
分子名称: 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
著者Kissinger, c.
登録日2008-03-12
公開日2008-04-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CJ3
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BU of 3cj3 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
分子名称: 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
著者Kissinger, c.
登録日2008-03-12
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4MU1
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BU of 4mu1 by Molmil
The structure of wt A. thaliana IGPD2 in complex with Mn2+, imidazole, and sulfate at 1.5 A resolution
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, Imidazoleglycerol-phosphate dehydratase 2, ...
著者Bisson, C, Britton, K.L, Sedelnikova, S.E, Baker, P.J, Rice, D.W.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
4QNJ
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BU of 4qnj by Molmil
The structure of wt A. thaliana IGPD2 in complex with Mn2+ and formate at 1.3A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ...
著者Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W.
登録日2014-06-18
公開日2015-06-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
4MU0
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The structure of wt A. thaliana IGPD2 in complex with Mn2+ and 1,2,4-triazole at 1.3 A resolution
分子名称: 1,2,4-TRIAZOLE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Bisson, C, Britton, K.L, Sedelnikova, S.E, Baker, P.J, Rice, D.W.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
1FXD
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BU of 1fxd by Molmil
REFINED CRYSTAL STRUCTURE OF FERREDOXIN II FROM DESULFOVIBRIO GIGAS AT 1.7 ANGSTROMS
分子名称: FE3-S4 CLUSTER, FERREDOXIN II
著者Kissinger, C.R, Sieker, L.C, Adman, E.T, Jensen, L.H.
登録日1991-04-08
公開日1993-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Refined crystal structure of ferredoxin II from Desulfovibrio gigas at 1.7 A.
J.Mol.Biol., 219, 1991
4J03
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BU of 4j03 by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant
分子名称: (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Morisseau, C, Pakhomova, S, Hwang, S.H, Newcomer, M.E, Hammock, B.D.
登録日2013-01-30
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.
Bioorg.Med.Chem.Lett., 23, 2013
1AUI
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BU of 1aui by Molmil
HUMAN CALCINEURIN HETERODIMER
分子名称: CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ...
著者Kissinger, C.R, Parge, H.E, Knighton, D.R, Pelletier, L.A, Lewis, C.T, Tempczyk, A, Villafranca, J.E.
登録日1997-08-27
公開日1997-12-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
5T83
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BU of 5t83 by Molmil
Structure of a guanidine-I riboswitch from S. acidophilus
分子名称: GUANIDINE, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ...
著者Reiss, C.W, Xiong, Y, Strobel, S.A.
登録日2016-09-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural Basis for Ligand Binding to the Guanidine-I Riboswitch.
Structure, 25, 2017
6GHT
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BU of 6ght by Molmil
HtxB D206A protein variant from Pseudomonas stutzeri in complex with hypophosphite to 1.12 A resolution
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, FORMIC ACID, ...
著者Bisson, C, Robertson, A.J, Hitchcock, A, Adams, N.B.
登録日2018-05-09
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand.
Sci Rep, 9, 2019
6YS9
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T_926 truncate of ChlH from Thermosynechococcus elongatus at 1.64 A resolution
分子名称: Magnesium-protoporphyrin methyltransferase, POTASSIUM ION
著者Bisson, C, Hunter, C.N.
登録日2020-04-21
公開日2020-12-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The active site of magnesium chelatase.
Nat.Plants, 6, 2020
6GHQ
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BU of 6ghq by Molmil
HtxB D206N protein variant from Pseudomonas stutzeri in a partially open conformation to 1.53 A resolution
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ...
著者Bisson, C, Robertson, A.J, Hitchcock, A, Adams, N.B.
登録日2018-05-08
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand.
Sci Rep, 9, 2019
6EMN
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BU of 6emn by Molmil
HtxB from Pseudomonas stutzeri in complex with phosphite to 1.25 A resolution
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Probable phosphite transport system-binding protein HtxB, ...
著者Bisson, C, Robertson, A.J, Hitchcock, A, Adams, N.B.
登録日2017-10-03
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand.
Sci Rep, 9, 2019
6HUD
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BU of 6hud by Molmil
Cryo-EM structure of cardiac amyloid fibrils from an immunoglobulin light chain (AL) amyloidosis patient.
分子名称: Monoclonal immunoglobulin light chains (LC)
著者Paissoni, C, Camilloni, C.
登録日2018-10-06
公開日2019-03-27
最終更新日2019-04-03
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structure of cardiac amyloid fibrils from an immunoglobulin light chain AL amyloidosis patient.
Nat Commun, 10, 2019
7NQG
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BU of 7nqg by Molmil
The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate
分子名称: 1,2-ETHANEDIOL, 4-HYDROXYPHENYLACETATE, PHOSPHATE ION, ...
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-01
公開日2021-10-06
最終更新日2022-01-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NR2
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BU of 7nr2 by Molmil
The structure of the SBP TarP_Sse in complex with coumarate
分子名称: 4'-HYDROXYCINNAMIC ACID, SULFATE ION, TRAP dicarboxylate transporter, ...
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-02
公開日2021-10-06
最終更新日2022-01-26
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NRR
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BU of 7nrr by Molmil
The structure of the SBP TarP_Csal in complex with caffeate
分子名称: CAFFEIC ACID, MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-04
公開日2021-10-06
最終更新日2022-01-26
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NRA
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BU of 7nra by Molmil
The structure of the SBP TarP_Sse in complex with cinnamate
分子名称: HYDROCINNAMIC ACID, TRAP dicarboxylate transporter, DctP subunit
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-03
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NSW
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BU of 7nsw by Molmil
The structure of the SBP TarP_Csal in complex with coumarate
分子名称: 1,2-ETHANEDIOL, 4'-HYDROXYCINNAMIC ACID, MAGNESIUM ION, ...
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-08
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NTD
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BU of 7ntd by Molmil
The structure of the SBP TarP_Csal in complex with ferulate
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, SULFATE ION, ...
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-09
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NTE
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BU of 7nte by Molmil
The structure of an open conformation of the SBP TarP_Csal
分子名称: MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-09
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
5MH6
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BU of 5mh6 by Molmil
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 A resolution)
分子名称: 1,2-ETHANEDIOL, 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, ...
著者Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
登録日2016-11-23
公開日2018-06-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
5O2J
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BU of 5o2j by Molmil
Pseudomonas stutzeri PtxB in complex with phosphite to 1.52 A resolution
分子名称: 1,2-ETHANEDIOL, PHOSPHONATE, Probable phosphite transport system-binding protein PtxB
著者Bisson, C, Hitchcock, A.
登録日2017-05-21
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017

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