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PDB: 45955 件
5SYW
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BU of 5syw by Molmil
Crystal structure of Burkhoderia pseudomallei KatG variant Q233E
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-12
公開日2016-09-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
7G8Q
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BU of 7g8q by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269220427
分子名称: 8-(methanesulfonyl)quinoline, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8W
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BU of 7g8w by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416193393
分子名称: 4-(5-methyl-1H-pyrazol-4-yl)piperidine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8V
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BU of 7g8v by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z133716556
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8Z
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BU of 7g8z by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1493056027
分子名称: 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.509 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G9D
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BU of 7g9d by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102179-001
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
実験手法X-RAY DIFFRACTION (2.659 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G9G
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BU of 7g9g by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102236-001
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-(2-methoxyphenyl)acetamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
1MFF
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BU of 1mff by Molmil
MACROPHAGE MIGRATION INHIBITORY FACTOR Y95F MUTANT
分子名称: MACROPHAGE MIGRATION INHIBITORY FACTOR
著者Taylor, A.B, Stamps, S.L, Wang, S.C, Hackert, M.L, Whitman, C.P.
登録日1998-10-19
公開日1999-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of the phenylpyruvate tautomerase activity of macrophage migration inhibitory factor: properties of the P1G, P1A, Y95F, and N97A mutants.
Biochemistry, 39, 2000
7G82
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BU of 7g82 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010
分子名称: 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.409 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G83
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BU of 7g83 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814
分子名称: 3-propanamido-1-benzofuran-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8Y
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BU of 7g8y by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1449748885
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-(4-methoxyphenyl)glycinamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
1KCI
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BU of 1kci by Molmil
Crystal Structure of 9-amino-N-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide Bound to d(CGTACG)2
分子名称: 5'-D(*CP*GP*TP*AP*CP*G)-3', 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-4-ACRIDINECARBOXAMIDE
著者Adams, A, Guss, J.M, Denny, W.A, Wakelin, L.P.G.
登録日2001-11-08
公開日2002-02-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of 9-amino-N-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide bound to d(CGTACG)2: implications for structure-activity relationships of acridinecarboxamide topoisomerase poisons.
Nucleic Acids Res., 30, 2002
5SW4
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BU of 5sw4 by Molmil
Crystal structure of native catalase-peroxidase KatG at pH8.0
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-08
公開日2016-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases.
EMBO Rep., 6, 2005
2X4F
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BU of 2x4f by Molmil
The Crystal Structure of the human myosin light chain kinase LOC340156.
分子名称: 1,2-ETHANEDIOL, 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine, MYOSIN LIGHT CHAIN KINASE FAMILY MEMBER 4, ...
著者Muniz, J.R.C, Mahajan, P, Rellos, P, Fedorov, O, Shrestha, B, Wang, J, Elkins, J.M, Daga, N, Cocking, R, Chaikuad, A, Krojer, T, Ugochukwu, E, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Gileadi, O, Knapp, S.
登録日2010-01-29
公開日2010-02-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献The Crystal Structure of the Human Myosin Light Chain Kinase Loc340156
To be Published
5SV3
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BU of 5sv3 by Molmil
RTA1-33/44-198 (RVEC) bound to Single Domain Antibody A3C8
分子名称: Anti-Ricin A-chain Single Domain Antibody (sdAb) A3C8, Ricin, SULFATE ION
著者Compton, J.R, Legler, P.M.
登録日2016-08-04
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Stability of isolated antibody-antigen complexes as a predictive tool for selecting toxin neutralizing antibodies.
MAbs, 9, 2017
1MMO
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BU of 1mmo by Molmil
CRYSTAL STRUCTURE OF A BACTERIAL NON-HAEM IRON HYDROXYLASE THAT CATALYSES THE BIOLOGICAL OXIDATION OF METHANE
分子名称: ACETIC ACID, FE (III) ION, METHANE MONOOXYGENASE HYDROLASE (ALPHA CHAIN), ...
著者Rosenzweig, A.C, Frederick, C.A, Lippard, S.J, Nordlund, P.
登録日1994-02-22
公開日1995-02-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a bacterial non-haem iron hydroxylase that catalyses the biological oxidation of methane.
Nature, 366, 1993
7JV9
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BU of 7jv9 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
5SZ8
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BU of 5sz8 by Molmil
Truncated hemolysin A Q125A/Y134A from P. mirabilis at 1.8 Angstroms resolution crystallized in a high salt condition
分子名称: Hemolysin, SULFATE ION
著者Novak, W.R.P, Bhattacharyya, B, Weaver, T.M.
登録日2016-08-12
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Proteolysis of truncated hemolysin A yields a stable dimerization interface.
Acta Crystallogr F Struct Biol Commun, 73, 2017
2X6C
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BU of 2x6c by Molmil
Potassium Channel from Magnetospirillum Magnetotacticum
分子名称: ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL 10, CHLORIDE ION, PHOSPHOCHOLINE, ...
著者Clarke, O.B, Caputo, A.T, Hill, A.P, Vandenberg, J.I, Smith, B.J, Gulbis, J.M.
登録日2010-02-15
公開日2010-06-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
1XWR
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BU of 1xwr by Molmil
Crystal structure of the coliphage lambda transcription activator protein CII
分子名称: ISOPROPYL ALCOHOL, Regulatory protein CII
著者Datta, A.B, Panjikar, S, Weiss, M.S, Chakrabarti, P, Parrack, P.
登録日2004-11-02
公開日2005-06-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structure of {lambda} CII: Implications for recognition of direct-repeat DNA by an unusual tetrameric organization
Proc.Natl.Acad.Sci.USA, 102, 2005
3OX9
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BU of 3ox9 by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida
分子名称: Steroid Delta-isomerase
著者Sigala, P.A, Fenn, T.D, Herschlag, D.
登録日2010-09-21
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
5SYL
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BU of 5syl by Molmil
B. pseudomallei KatG with KCN bound
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, CYANIDE ION, ...
著者Loewen, P.C.
登録日2016-08-11
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of B. pseudomallei KatG with cyanide bound
To be published
6T1O
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BU of 6t1o by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 6
分子名称: 1,2-ETHANEDIOL, 4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
著者Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-04
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
2WID
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BU of 2wid by Molmil
NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F.
登録日2009-05-11
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009
2HZI
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BU of 2hzi by Molmil
Abl kinase domain in complex with PD180970
分子名称: 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-09
公開日2007-01-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007

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