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2WI2
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Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI4
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Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
3J9R
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BU of 3j9r by Molmil
Atomic structures of a bactericidal contractile nanotube in its pre- and post-contraction states
分子名称: sheath
著者Ge, P, Scholl, D, Leiman, P.G, Yu, X, Miller, J.F, Zhou, Z.H.
登録日2015-02-17
公開日2015-04-01
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Atomic structures of a bactericidal contractile nanotube in its pre- and postcontraction states.
Nat.Struct.Mol.Biol., 22, 2015
3J9Q
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Atomic structures of a bactericidal contractile nanotube in its pre- and post-contraction states
分子名称: sheath, tube
著者Ge, P, Scholl, D, Leiman, P.G, Yu, X, Miller, J.F, Zhou, Z.H.
登録日2015-02-17
公開日2015-04-01
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Atomic structures of a bactericidal contractile nanotube in its pre- and postcontraction states.
Nat.Struct.Mol.Biol., 22, 2015
2XTZ
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BU of 2xtz by Molmil
Crystal structure of the G alpha protein AtGPA1 from Arabidopsis thaliana
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, GUANINE NUCLEOTIDE-BINDING PROTEIN ALPHA-1 SUBUNIT, ...
著者Jones, J.C, Duffy, J.W, Machius, M, Temple, B.R.S, Dohlman, H.G, Jones, A.M.
登録日2010-10-13
公開日2011-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献The Crystal Structure of a Self-Activating G Protein Alpha Subunit Reveals its Distinct Mechanism of Signal Initiation
Sci.Signal., 159, 2011
3V84
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BU of 3v84 by Molmil
Thaumatin by LB based Hanging Drop Vapour Diffusion after 1.81 MGy X-Ray dose at ESRF ID29 beamline (Worst Case)
分子名称: GLYCEROL, Thaumatin I
著者Belmonte, L, Scudieri, D, Tripathi, S, Pechkova, E, Nicolini, C.
登録日2011-12-22
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Langmuir-Blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
CRIT.REV.EUKARYOT.GENE EXPR., 22, 2012
3V87
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Thaumatin by Classical Hanging Drop Vapour Diffusion after 1.81 MGy X-Ray dose at ESRF ID29 beamline (Worst Case)
分子名称: GLYCEROL, Thaumatin I
著者Belmonte, L, Scudieri, D, Tripathi, S, Pechkova, E, Nicolini, C.
登録日2011-12-22
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Langmuir-Blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
CRIT.REV.EUKARYOT.GENE EXPR., 22, 2012
3VCH
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BU of 3vch by Molmil
Thaumatin by Classical Hanging Drop Vapour Diffusion after 9.05 MGy X-Ray dose at ESRF ID29 beamline (Best Case)
分子名称: GLYCEROL, Thaumatin I
著者Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C.
登録日2012-01-04
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
Crit Rev Eukaryot Gene Expr, 22, 2012
3V8A
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BU of 3v8a by Molmil
Thaumatin by Classical Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Worst Case)
分子名称: GLYCEROL, Thaumatin I
著者Belmonte, L, Scudieri, D, Tripathi, S, Pechkova, E, Nicolini, C.
登録日2011-12-22
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Langmuir-Blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
CRIT.REV.EUKARYOT.GENE EXPR., 22, 2012
1C1M
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BU of 1c1m by Molmil
PORCINE ELASTASE UNDER XENON PRESSURE (8 BAR)
分子名称: CALCIUM ION, PROTEIN (PORCINE ELASTASE), SULFATE ION, ...
著者Prange, T, Schiltz, M, Pernot, L, Colloc'h, N, Longhi, S, Bourguet, W, Fourme, R.
登録日1999-07-22
公開日1999-07-28
最終更新日2018-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring hydrophobic sites in proteins with xenon or krypton.
Proteins, 30, 1998
1BWC
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BU of 1bwc by Molmil
STRUCTURE OF HUMAN GLUTATHIONE REDUCTASE COMPLEXED with AJOENE INHIBITOR AND SUBVERSIVE SUBSTRATE
分子名称: 3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Gallwitz, H, Bonse, S, Martinez-Cruz, A, Schlichting, I, Schumacher, K, Krauth-Siegel, R.L.
登録日1998-09-23
公開日1999-07-20
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ajoene is an inhibitor and subversive substrate of human glutathione reductase and Trypanosoma cruzi trypanothione reductase: crystallographic, kinetic, and spectroscopic studies.
J.Med.Chem., 42, 1999
7BNK
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BU of 7bnk by Molmil
Crystal structure of ParB from Myxococcus xanthus bound to CDP and Monothiophosphate
分子名称: CYTIDINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Altegoer, F, Bange, G.
登録日2021-01-22
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
1C3L
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BU of 1c3l by Molmil
SUBTILISIN-CARLSBERG COMPLEXED WITH XENON (8 BAR)
分子名称: CALCIUM ION, FORMIC ACID, SUBTILISIN-CARLSBERG, ...
著者Prange, T, Schiltz, M, Pernot, L, Colloc'h, N, Longhi, S.
登録日1999-07-28
公開日1999-08-04
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Exploring hydrophobic sites in proteins with xenon or krypton.
Proteins, 30, 1998
1DS5
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BU of 1ds5 by Molmil
DIMERIC CRYSTAL STRUCTURE OF THE ALPHA SUBUNIT IN COMPLEX WITH TWO BETA PEPTIDES MIMICKING THE ARCHITECTURE OF THE TETRAMERIC PROTEIN KINASE CK2 HOLOENZYME.
分子名称: ADENOSINE MONOPHOSPHATE, CASEIN KINASE, ALPHA CHAIN, ...
著者Battistutta, R, Sarno, S, De Moliner, E, Marin, O, Zanotti, G, Pinna, L.A.
登録日2000-01-07
公開日2001-01-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献The crystal structure of the complex of Zea mays alpha subunit with a fragment of human beta subunit provides the clue to the architecture of protein kinase CK2 holoenzyme.
Eur.J.Biochem., 267, 2000
3HPE
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BU of 3hpe by Molmil
Crystal structure of yceI (HP1286) from Helicobacter pylori
分子名称: (13Z)-docos-13-enamide, Conserved hypothetical secreted protein
著者Sisinni, L, Cendron, L, Zanotti, G.
登録日2009-06-04
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Helicobacter pylori acidic stress response factor HP1286 is a YceI homolog with new binding specificity.
Febs J., 277, 2010
3J45
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BU of 3j45 by Molmil
Structure of a non-translocating SecY protein channel with the 70S ribosome
分子名称: 23S ribosomal RNA, 50S ribosomal protein L23, 50S ribosomal protein L24, ...
著者Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W.
登録日2013-06-18
公開日2013-10-23
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9.5 Å)
主引用文献Structure of the SecY channel during initiation of protein translocation.
Nature, 506, 2013
3K7K
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BU of 3k7k by Molmil
Crystal structure of the complex between Carbonic Anhydrase II and anions
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, ZINC ION, ...
著者Temperini, C.
登録日2009-10-13
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors. X-ray crystal studies of the carbonic anhydrase II-trithiocarbonate adduct-An inhibitor mimicking the sulfonamide and urea binding to the enzyme
Bioorg.Med.Chem.Lett., 20, 2010
2XHM
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BU of 2xhm by Molmil
Crystal structure of AnCE-K26 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ...
著者Akif, M, Ntai, I, Sturrock, E.D, Isaac, R.E, Bachmann, B.O, Acharya, K.R.
登録日2010-06-18
公開日2010-07-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure of a Phosphonotripeptide K-26 in Complex with Angiotensin Converting Enzyme Homologue (Ance) from Drosophila Melanogaster.
Biochem.Biophys.Res.Commun., 398, 2010
3K1V
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BU of 3k1v by Molmil
Cocrystal structure of a mutant class-I preQ1 riboswitch
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, CALCIUM ION, PreQ1 riboswitch
著者Klein, D.J, Edwards, T.E, Ferre-D'Amare, A.R.
登録日2009-09-28
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cocrystal Structure of a Class I Preq1 Riboswitch Reveals a Pseudoknot Recognizing an Essential Hypermodified Nucleobase
Nat.Struct.Mol.Biol., 16, 2009
3KVD
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BU of 3kvd by Molmil
Crystal structure of the Neisseria meningitidis Factor H binding protein, fHbp (GNA1870) at 2.0 A resolution
分子名称: Lipoprotein
著者Cendron, L, Veggi, D, Girardi, E, Zanotti, G.
登録日2009-11-30
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the uncomplexed Neisseria meningitidis factor H-binding protein fHbp (rLP2086).
Acta Crystallogr.,Sect.F, 67, 2011
7CKP
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BU of 7ckp by Molmil
Mycobacterium tuberculosis Enolase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enolase, MAGNESIUM ION
著者Biswal, B.K, Ahmad, M, Jha, B.
登録日2020-07-18
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CLL
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BU of 7cll by Molmil
Mycobacterium tubeculosis enolase in complex with 2-Phosphoglycerate
分子名称: 2-PHOSPHOGLYCERIC ACID, ACETATE ION, CHLORIDE ION, ...
著者Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K.
登録日2020-07-21
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CLK
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BU of 7clk by Molmil
Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
著者Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K.
登録日2020-07-21
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
1HA9
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BU of 1ha9 by Molmil
SOLUTION STRUCTURE OF THE SQUASH TRYPSIN INHIBITOR MCoTI-II, NMR, 30 STRUCTURES.
分子名称: TRYPSIN INHIBITOR II
著者Heitz, A, Hernandez, J.-F, Gagnon, J, Hong, T.T, Pham, T.T.C, Nguyen, T.M, Le-Nguyen, D, Chiche, L.
登録日2001-04-02
公開日2001-04-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution Structure of the Squash Trypsin Inhibitor Mcoti-II. A New Family for Cyclic Knottins
Biochemistry, 40, 2001
7DLR
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BU of 7dlr by Molmil
Mycobacterium tuberculosis enolase mutant - E163A
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Ahmad, M, Biswal, B.K.
登録日2020-11-30
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023

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