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4XDZ
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BU of 4xdz by Molmil
Holo structure of ketol-acid reductoisomerase from Ignisphaera aggregans
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Ketol-acid reductoisomerase, ...
著者Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
登録日2014-12-20
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4XDY
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BU of 4xdy by Molmil
Structure of NADH-preferring ketol-acid reductoisomerase from an uncultured archean
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Ketol-acid reductoisomerase, ...
著者Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
登録日2014-12-20
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.535 Å)
主引用文献Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4XEH
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BU of 4xeh by Molmil
Apo structure of KARI from Ignisphaera aggregans
分子名称: Ketol-acid reductoisomerase
著者Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
登録日2014-12-23
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
5MLL
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BU of 5mll by Molmil
Structure of HpDprA at 1.9 Angstroms resolution
分子名称: 1,2-ETHANEDIOL, DNA processing chain A (DprA)
著者Lisboa, J, Quevillon-Cheruel, S.
登録日2016-12-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The C-terminal domain of HpDprA is a DNA-binding Winged Helix domain that does not bind double-stranded DNA.
FEBS J., 2019
7EPW
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BU of 7epw by Molmil
Crystal structure of monooxygenase Tet(X4) with tigecycline
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, TIGECYCLINE
著者Cheng, Q, Chen, S.
登録日2021-04-28
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline.
Bmc Biol., 19, 2021
7EPV
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BU of 7epv by Molmil
Crystal structure of tigecycline degrading monooxygenase Tet(X4)
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase, GLYCEROL
著者Cheng, Q, Chen, S.
登録日2021-04-27
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural and mechanistic basis of the high catalytic activity of monooxygenase Tet(X4) on tigecycline.
Bmc Biol., 19, 2021
4TY9
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BU of 4ty9 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 5-(trifluoromethyl)pyridin-2-amine, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TYB
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BU of 4tyb by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: (2R)-morpholin-4-yl(phenyl)ethanenitrile, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
7OMT
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BU of 7omt by Molmil
Crystal structure of ProMacrobody 21 with bound maltose
分子名称: HEXAETHYLENE GLYCOL, MAGNESIUM ION, ProMacrobody 21, ...
著者Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M.
登録日2021-05-24
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
7OMM
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BU of 7omm by Molmil
Cryo-EM structure of N. gonorhoeae LptDE in complex with ProMacrobodies (MBPs have not been built de novo)
分子名称: LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ProMacrobody 21,Maltodextrin-binding protein, ...
著者Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M.
登録日2021-05-24
公開日2022-05-04
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
4TYA
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BU of 4tya by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 4-(trifluoromethyl)benzoic acid, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TXS
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BU of 4txs by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: (4-hydroxyphenyl)acetonitrile, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-07
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TY8
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BU of 4ty8 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 6-methyl-2H-chromen-2-one, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
5LS6
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BU of 5ls6 by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor
分子名称: 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ...
著者Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S.
登録日2016-08-22
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
4RVY
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BU of 4rvy by Molmil
Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-11-29
公開日2015-11-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
7PEN
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BU of 7pen by Molmil
Crystal Structure of Two-Domain Laccase mutant Y230A from Streptomyces griseoflavus
分子名称: COPPER (II) ION, SODIUM ION, Two-domain laccase
著者Gabdulkhakov, A, Tishchenko, S, Kolyadenko, I.
登録日2021-08-11
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993.
Int J Mol Sci, 23, 2021
7PFR
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BU of 7pfr by Molmil
Crystal Structure of Two-Domain Laccase mutant M199A from Streptomyces griseoflavus
分子名称: COPPER (II) ION, SODIUM ION, Two-domain laccase
著者Gabdulkhakov, A, Tishchenko, S, Kolyadenko, I.
登録日2021-08-12
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993.
Int J Mol Sci, 23, 2021
7PTM
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BU of 7ptm by Molmil
Crystal Structure of Two-Domain Laccase mutant M199G/R240H from Streptomyces griseoflavus
分子名称: COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ...
著者Gabdulkhakov, A, Tishchenko, S, Kolyadenko, I.
登録日2021-09-27
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993.
Int J Mol Sci, 23, 2021
7PU0
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BU of 7pu0 by Molmil
Crystal Structure of Two-Domain Laccase mutant H165A/M199G from Streptomyces griseoflavus
分子名称: COPPER (II) ION, SODIUM ION, Two-domain laccase
著者Gabdulkhakov, A, Tishchenko, S, Kolyadenko, I.
登録日2021-09-28
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993.
Int J Mol Sci, 23, 2021
7PES
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BU of 7pes by Molmil
Crystal Structure of Two-Domain Laccase mutant M199G from Streptomyces griseoflavus
分子名称: COPPER (II) ION, OXYGEN MOLECULE, SODIUM ION, ...
著者Gabdulkhakov, A, Tishchenko, S, Kolyadenko, I.
登録日2021-08-11
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993.
Int J Mol Sci, 23, 2021
7PUH
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BU of 7puh by Molmil
Crystal Structure of Two-Domain Laccase mutant H165A/R240H from Streptomyces griseoflavus
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
著者Kolyadenko, I, Tishchenko, S, Gabdulkhakov, A.
登録日2021-09-30
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993.
Int J Mol Sci, 23, 2021
6WIV
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BU of 6wiv by Molmil
Structure of human GABA(B) receptor in an inactive state
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R.
登録日2020-04-10
公開日2020-07-01
最終更新日2020-08-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of human GABABreceptor in an inactive state.
Nature, 584, 2020
5L9C
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BU of 5l9c by Molmil
Crystal structure of an endoglucanase from Penicillium verruculosum in complex with cellobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Nemashkalov, V, Vakhrusheva, A, Tishchenko, S, Gabdulkhakov, A, Kravchenko, O, Gusakov, A, Sinisyn, A.
登録日2016-06-10
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of an endoglucanase from Penicillium verruculosum in complex with cellobiose
to be published
5ZB7
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BU of 5zb7 by Molmil
CTX-M-64 apoenzyme
分子名称: Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2018-02-10
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6QQN
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BU of 6qqn by Molmil
Tubulin-TH588 complex
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Patterson, J.C, Joughin, B.A, Prota, A.E, Muehlethaler, T, Jonas, O.H, Whitman, M.A, Varmeh, S, Chen, S, Balk, S.P, Steinmetz, M.O, Lauffenburger, D.A, Yaffe, M.B.
登録日2019-02-18
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献VISAGE Reveals a Targetable Mitotic Spindle Vulnerability in Cancer Cells.
Cell Syst, 9, 2019

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