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4V7G
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BU of 4v7g by Molmil
Crystal Structure of Lumazine Synthase from Bacillus Anthracis
分子名称: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R.
登録日2009-09-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 66, 2010
7ULK
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BU of 7ulk by Molmil
Human TRAP1 NM in complex with 42C
分子名称: CALCIUM ION, Heat shock protein 75 kDa, mitochondrial, ...
著者Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
登録日2022-04-05
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
7ULJ
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BU of 7ulj by Molmil
Hsp90b N-terminal domain in complex with 42C
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ...
著者Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
登録日2022-04-05
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
7ULL
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BU of 7ull by Molmil
Human Grp94 N-terminal domain in complex with 42C
分子名称: DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ...
著者Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
登録日2022-04-05
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
1FBX
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BU of 1fbx by Molmil
CRYSTAL STRUCTURE OF ZINC-CONTAINING E.COLI GTP CYCLOHYDROLASE I
分子名称: CHLORIDE ION, GTP CYCLOHYDROLASE I, ZINC ION
著者Auerbach, G, Herrmann, A, Bracher, A, Bader, A, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A.
登録日2000-07-17
公開日2001-02-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
1FB1
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BU of 1fb1 by Molmil
CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I
分子名称: GTP CYCLOHYDROLASE I, ISOPROPYL ALCOHOL, ZINC ION
著者Auerbach, G, Herrmann, A, Bracher, A, Bader, G, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A.
登録日2000-07-14
公開日2000-12-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
1SNN
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BU of 1snn by Molmil
3,4-dihydroxy-2-butanone 4-phosphate synthase from Methanococcus jannaschii
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ...
著者Steinbacher, S, Schiffmann, S, Huber, R, Bacher, A, Fischer, M.
登録日2004-03-11
公開日2004-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Metal sites in 3,4-dihydroxy-2-butanone 4-phosphate synthase from Methanococcus jannaschii in complex with the substrate ribulose 5-phosphate.
Acta Crystallogr.,Sect.D, 60, 2004
1EJB
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BU of 1ejb by Molmil
LUMAZINE SYNTHASE FROM SACCHAROMYCES CEREVISIAE
分子名称: 5-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-PENTYL-PHOSPHONIC ACID, LUMAZINE SYNTHASE
著者Meining, W, Mortl, S, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
登録日2000-03-02
公開日2001-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The atomic structure of pentameric lumazine synthase from Saccharomyces cerevisiae at 1.85 A resolution reveals the binding mode of a phosphonate intermediate analogue.
J.Mol.Biol., 299, 2000
7SHH
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BU of 7shh by Molmil
Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl)piperidine-2,6-dione
分子名称: (3R)-3-(4-methoxyphenyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
著者Nithianantham, S, Fischer, M.
登録日2021-10-08
公開日2022-04-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Potent and Selective Janus Kinase 2/3 Directing PG-PROTACs.
Acs Med.Chem.Lett., 13, 2022
5UG2
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BU of 5ug2 by Molmil
CcP gateless cavity
分子名称: 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
著者Stein, R.M, Fischer, M, Shoichet, B.K.
登録日2017-01-06
公開日2017-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1PVW
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BU of 1pvw by Molmil
3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, PHOSPHATE ION, ...
著者Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M.
登録日2003-06-29
公開日2003-11-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE CATALYTIC MECHANISM
J.Biol.Chem., 278, 2003
1PVY
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BU of 1pvy by Molmil
3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii in complex with ribulose 5-phosphate
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ...
著者Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M.
登録日2003-06-29
公開日2003-11-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE CATALYTIC MECHANISM
J.Biol.Chem., 278, 2003
7S8Z
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BU of 7s8z by Molmil
Room-temperature apo Human Hsp90a-NTD
分子名称: Heat shock protein HSP 90-alpha
著者Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
登録日2021-09-20
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9G
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BU of 7s9g by Molmil
Room-temperature Human Hsp90a-NTD bound to BIIB021
分子名称: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Stachowski, T.R, Vanarotti, M, Fischer, M.
登録日2021-09-21
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9F
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BU of 7s9f by Molmil
Cryogenic Human Hsp90a-NTD bound to BIIB021
分子名称: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M.
登録日2021-09-20
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S95
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BU of 7s95 by Molmil
Room-temperature Human Hsp90a-NTD bound to adenine
分子名称: ADENINE, Heat shock protein HSP 90-alpha
著者Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
登録日2021-09-20
公開日2022-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9I
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BU of 7s9i by Molmil
Room-temperature Human Hsp90a-NTD bound to EC144
分子名称: 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha
著者Stachowski, T.R, Vanarotti, M, Fischer, M.
登録日2021-09-21
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9H
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BU of 7s9h by Molmil
Cryogenic Human Hsp90a-NTD bound to EC144
分子名称: 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M.
登録日2021-09-21
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S98
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Cryogenic Human Hsp90a-NTD bound to N6M
分子名称: Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE
著者Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
登録日2021-09-20
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S8Y
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BU of 7s8y by Molmil
Cryogenic apo Human Hsp90a-NTD
分子名称: Heat shock protein HSP 90-alpha
著者Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
登録日2021-09-20
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S90
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BU of 7s90 by Molmil
Cryogenic Human Hsp90a-NTD bound to adenine
分子名称: ADENINE, Heat shock protein HSP 90-alpha
著者Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
登録日2021-09-20
公開日2022-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S99
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BU of 7s99 by Molmil
Room-temperature Human Hsp90a-NTD bound to N6M
分子名称: Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE
著者Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
登録日2021-09-20
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
1W29
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BU of 1w29 by Molmil
Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)butane 1-phosphate
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, 4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, ...
著者Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
登録日2004-07-01
公開日2005-03-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,)
Biochemistry, 44, 2005
1SEP
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BU of 1sep by Molmil
MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND SEPIAPTERIN
分子名称: BIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SEPIAPTERIN REDUCTASE
著者Auerbach, G, Herrmann, A, Guetlich, M, Fischer, M, Jacob, U, Bacher, A, Huber, R.
登録日1997-05-23
公開日1999-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997
7RN2
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BU of 7rn2 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2
分子名称: 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4
著者Stachowski, T.R, Fischer, M.
登録日2021-07-28
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023

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