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5C2Y
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BU of 5c2y by Molmil
Crystal structure of the Saccharomyces cerevisiae Rtr1 (regulator of transcription)
分子名称: GLYCEROL, RNA polymerase II subunit B1 CTD phosphatase RTR1, SULFATE ION, ...
著者Yogesha, S.D, Irani, S, Zhang, Y.J.
登録日2015-06-16
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Saccharomyces cerevisiae Rtr1 reveals an active site for an atypical phosphatase.
Sci.Signal., 9, 2016
4M56
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BU of 4m56 by Molmil
The Structure of Wild-type MalL from Bacillus subtilis
分子名称: D-glucose, GLYCEROL, Oligo-1,6-glucosidase 1, ...
著者Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L.
登録日2013-08-08
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates.
Acs Chem.Biol., 8, 2013
5S54
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BU of 5s54 by Molmil
Tubulin-Z2856434816-complex
分子名称: 1-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]methanamine, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
登録日2020-11-08
公開日2021-06-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4QWR
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BU of 4qwr by Molmil
yCP beta5-C52F mutant in complex with carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-17
公開日2015-02-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QVM
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BU of 4qvm by Molmil
yCP beta5-M45A mutant in complex with bortezomib
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-15
公開日2015-02-04
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
5S5D
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BU of 5s5d by Molmil
Tubulin-Z32400357-complex
分子名称: 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
登録日2020-11-08
公開日2021-06-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
5B27
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BU of 5b27 by Molmil
The 1.02A structure of human FABP3 M20S mutant complexed with palmitic acid
分子名称: Fatty acid-binding protein, heart, PALMITIC ACID, ...
著者Matsuoka, D, Sugiyama, S, Kakinouchi, K, Niiyama, M, Murata, M, Matsuoka, S.
登録日2016-01-12
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献The 1.02A structure of human FABP3 M20S mutant complexed with palmitic acid.
To Be Published
5SAK
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BU of 5sak by Molmil
Endothiapepsin in complex with compound FU5-1
分子名称: (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
登録日2021-05-28
公開日2021-09-01
最終更新日2024-12-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
5S5H
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BU of 5s5h by Molmil
Tubulin-Z2074076908-complex
分子名称: 1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
登録日2020-11-08
公開日2021-06-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4R5E
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BU of 4r5e by Molmil
Crystal Structure of Family GH18 Chitinase from Cycas revoluta a Complex with Allosamidin
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ACETATE ION, ALLOSAMIZOLINE, ...
著者Umemoto, N, Numata, T, Ohnuma, T, Fukamizo, T.
登録日2014-08-21
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures and inhibitor binding properties of plant class V chitinases: the cycad enzyme exhibits unique structural and functional features.
Plant J., 82, 2015
7GUD
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BU of 7gud by Molmil
Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 1.51 MGy X-ray dose.
分子名称: 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ...
著者Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M.
登録日2024-01-09
公開日2025-02-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
5S61
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BU of 5s61 by Molmil
Tubulin-Z57472297-complex
分子名称: 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O.
登録日2020-11-08
公開日2021-06-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
5B4C
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BU of 5b4c by Molmil
Crystal structure of H10N mutant of LpxH with manganese
分子名称: GLYCEROL, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
著者Okada, C, Wakabayashi, H, Yao, M, Tanaka, I.
登録日2016-04-03
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structures of the UDP-diacylglucosamine pyrophosphohydrase LpxH from Pseudomonas aeruginosa
Sci Rep, 6, 2016
5VO4
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BU of 5vo4 by Molmil
Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile
分子名称: 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile, Androgen receptor
著者Parris, K, Unwalla, R.
登録日2017-05-02
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators.
J. Med. Chem., 60, 2017
5SBT
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BU of 5sbt by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z445856640
分子名称: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
登録日2021-09-14
公開日2021-09-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献CD44 PanDDA analysis group deposition
To Be Published
5SBS
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BU of 5sbs by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z340495298
分子名称: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
登録日2021-09-14
公開日2021-09-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.024 Å)
主引用文献CD44 PanDDA analysis group deposition
To Be Published
5SBW
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BU of 5sbw by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434874
分子名称: 1,2-ETHANEDIOL, 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, CD44 antigen, ...
著者Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
登録日2021-09-14
公開日2021-09-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.148 Å)
主引用文献CD44 PanDDA analysis group deposition
To Be Published
5SBV
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BU of 5sbv by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z31721798
分子名称: 1,2-ETHANEDIOL, 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one, CD44 antigen, ...
著者Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
登録日2021-09-14
公開日2021-09-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献CD44 PanDDA analysis group deposition
To Be Published
7K8G
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BU of 7k8g by Molmil
Crystal structure of bovine RPE65 in complex with 4-fluoro-MB-004 and palmitate
分子名称: (1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ...
著者Kiser, P.D.
登録日2020-09-27
公開日2021-06-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021
5SBZ
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BU of 5sbz by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z768399682
分子名称: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
登録日2021-09-14
公開日2021-09-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献CD44 PanDDA analysis group deposition
To Be Published
5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
分子名称: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A, Margarit, S.M.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
3JSR
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BU of 3jsr by Molmil
X-Ray structure of All0216 protein from Nostoc sp. PCC 7120 at the resolution 1.8A. Northeast Structural Genomics Consortium target NsR236
分子名称: All0216 protein, POTASSIUM ION
著者Kuzin, A.P, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-09-10
公開日2009-09-22
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray structure of All0216 protein from Nostoc sp. PCC 7120 at the resolution 1.8A
To be Published
4M7J
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BU of 4m7j by Molmil
Crystal structure of S25-26 in complex with Kdo(2.8)Kdo(2.4)Kdo trisaccharide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, DI(HYDROXYETHYL)ETHER, ...
著者Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H.
登録日2013-08-12
公開日2014-04-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
5SC1
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BU of 5sc1 by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z431807512
分子名称: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
登録日2021-09-14
公開日2021-09-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.165 Å)
主引用文献CD44 PanDDA analysis group deposition
To Be Published
5SC3
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BU of 5sc3 by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z422471910
分子名称: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
登録日2021-09-14
公開日2021-09-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献CD44 PanDDA analysis group deposition
To Be Published

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