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1N5J
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE DIPHOSPHATE (TDP) AND THYMIDINE TRIPHOSPHATE (TTP) AT PH 5.4 (1.85 A RESOLUTION)
分子名称: MAGNESIUM ION, SULFATE ION, THYMIDINE-5'-DIPHOSPHATE, ...
著者Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D.
登録日2002-11-06
公開日2003-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway
J.Mol.Biol., 327, 2003
1N5I
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BU of 1n5i by Molmil
CRYSTAL STRUCTURE OF INACTIVE MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) AT PH 4.6 (RESOLUTION 1.85 A)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CITRATE ANION, SULFATE ION, ...
著者Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D.
登録日2002-11-06
公開日2003-04-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway
J.Mol.Biol., 327, 2003
1N5K
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BU of 1n5k by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE (RESOLUTION 2.1 A)
分子名称: ACETATE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ...
著者Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D.
登録日2002-11-06
公開日2003-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway
J.Mol.Biol., 375, 2003
1N5L
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BU of 1n5l by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE, AFTER CATALYSIS IN THE CRYSTAL (2.3 A RESOLUTION)
分子名称: ACETATE ION, DIPHOSPHATE, MAGNESIUM ION, ...
著者Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D.
登録日2002-11-06
公開日2003-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway
J.Mol.Biol., 375, 2003
7R35
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BU of 7r35 by Molmil
Difference-refined structure of fatty acid photodecarboxylase 300 ns following 400-nm laser irradiation of the dark-state determined by SFX
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, W.
登録日2022-02-06
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned.
Acta Crystallogr D Struct Biol, 78, 2022
6VI3
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BU of 6vi3 by Molmil
Straight Filament from Alzheimer's Disease Human Brain Tissue
分子名称: GLYCINE, Microtubule-associated protein tau
著者Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
登録日2020-01-11
公開日2020-04-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains
Cell, 180, 2020
5IKX
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BU of 5ikx by Molmil
Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from Lucilia cuprina
分子名称: Carboxylic ester hydrolase
著者Jackson, C, Fraser, N.
登録日2016-03-04
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Evolution of Protein Quaternary Structure in Response to Selective Pressure for Increased Thermostability.
J.Mol.Biol., 428, 2016
5IWG
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BU of 5iwg by Molmil
HDAC2 WITH LIGAND BRD4884
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Steinbacher, S.
登録日2016-03-22
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors.
Bioorg.Med.Chem., 24, 2016
1SHC
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BU of 1shc by Molmil
SHC PTB DOMAIN COMPLEXED WITH A TRKA RECEPTOR PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: SHC, TRKA RECEPTOR PHOSPHOPEPTIDE
著者Zhou, M.-M, Ravichandran, K.S, Olejniczak, E.T, Petros, A.M, Meadows, R.P, Sattler, M, Harlan, J.E, Wade, W.S, Burakoff, S.J, Fesik, S.W.
登録日1996-03-27
公開日1997-05-15
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure and ligand recognition of the phosphotyrosine binding domain of Shc.
Nature, 378, 1995
7QG0
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BU of 7qg0 by Molmil
Inhibitor-induced hSARM1 duplex
分子名称: NAD(+) hydrolase SARM1
著者Zalk, R, Kahzma, T, Guez-Haddad, J.
登録日2021-12-07
公開日2022-12-21
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献A duplex structure of SARM1 octamers stabilized by a new inhibitor.
Cell.Mol.Life Sci., 80, 2022
4D65
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BU of 4d65 by Molmil
Structure of porin Omp-Pst2 from P. stuartii; the asymmetric unit contains a dimer of trimers.
分子名称: 3-HYDROXY-TETRADECANOIC ACID, LAURYL DIMETHYLAMINE-N-OXIDE, MYRISTIC ACID, ...
著者Nasrallah, C, Colletier, J.P.
登録日2014-11-08
公開日2016-03-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Porin self-association enables cell-to-cell contact inProvidencia stuartiifloating communities.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4D64
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BU of 4d64 by Molmil
Structure of porin Omp-Pst1 from P. stuartii; the crystallographic symmetry generates a dimer of trimers.
分子名称: CALCIUM ION, PORIN 1
著者Nasrallah, C, Colletier, J.P.
登録日2014-11-08
公開日2016-03-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Porin self-association enables cell-to-cell contact inProvidencia stuartiifloating communities.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4PBE
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BU of 4pbe by Molmil
Phosphotriesterase Variant Rev6
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR6, ...
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-04-12
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4PBF
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BU of 4pbf by Molmil
Phosphotriesterase variant Rev12
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR12, ...
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-04-12
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4PCN
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BU of 4pcn by Molmil
Phosphotriesterase variant R22
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R22, ZINC ION
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-04-16
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4PCP
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BU of 4pcp by Molmil
Crystal structure of Phosphotriesterase variant R0
分子名称: CACODYLATE ION, Phosphotriesterase variant PTE-R0, ZINC ION
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-04-16
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
5DPZ
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BU of 5dpz by Molmil
Endothiapepsin in complex with fragment 31
分子名称: 2-methylaniline, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.328 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5DQ1
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BU of 5dq1 by Molmil
Endothiapepsin in complex with fragment 34
分子名称: 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.489 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
7AMF
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BU of 7amf by Molmil
Crystal structure of rsFolder2 in its non-fluorescent off-state
分子名称: GLYCEROL, Green fluorescent protein
著者Moreno-Chicano, T, El Khatib, M, Colletier, J.-P.
登録日2020-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
7AMB
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BU of 7amb by Molmil
Crystal structure of rsFolder2 in its fluorescent on-state
分子名称: GLYCEROL, Green fluorescent protein
著者Moreno-Chicano, T, El Khatib, M, Colletier, J.-P.
登録日2020-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
5DQ2
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Endothiapepsin in complex with fragment 48
分子名称: 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ...
著者Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.514 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
1U6Q
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BU of 1u6q by Molmil
Substituted 2-Naphthamadine inhibitors of Urokinase
分子名称: TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator
著者Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L.
登録日2004-07-30
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
6EZ2
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BU of 6ez2 by Molmil
Human butyrylcholinesterase carbamylated.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P.
登録日2017-11-14
公開日2018-12-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model.
Commun Chem, 2019
4XAG
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BU of 4xag by Molmil
Cycles of destabilization and repair underlie the evolution of new enzyme function
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R6, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-14
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XD3
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BU of 4xd3 by Molmil
Phosphotriesterase variant E3
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E1, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016

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件を2024-08-07に公開中

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