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4UFT
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BU of 4uft by Molmil
Structure of the helical Measles virus nucleocapsid
分子名称: 5'-R(*CP*CP*CP*CP*CP*CP)-3', NUCLEOPROTEIN
著者Gutsche, I, Desfosses, A, Effantin, G, Ling, W.L, Haupt, M, Ruigrok, R.W.H, Sachse, C, Schoehn, G.
登録日2015-03-19
公開日2015-04-29
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Near-Atomic Cryo-Em Structure of the Helical Measles Virus Nucleocapsid.
Science, 348, 2015
6YHY
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BU of 6yhy by Molmil
A lid blocking mechanism of a cone snail toxin revealed at the atomic level
分子名称: Conk-S1
著者Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I.
登録日2020-03-31
公開日2021-04-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Molecular Lid Mechanism of K + Channel Blocker Action Revealed by a Cone Peptide.
J.Mol.Biol., 433, 2021
6L48
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BU of 6l48 by Molmil
Structure of the human sterol O-acyltransferase 1 in resting state
分子名称: CHOLESTEROL, Sterol O-acyltransferase 1
著者Chen, L, Guan, C, Niu, Y.
登録日2019-10-16
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into the inhibition mechanism of human sterol O-acyltransferase 1 by a competitive inhibitor.
Nat Commun, 11, 2020
4UD0
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BU of 4ud0 by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
分子名称: RNA-DIRECTED RNA POLYMERASE L, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
著者Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
登録日2014-12-05
公開日2015-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
5Y8W
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BU of 5y8w by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y94
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BU of 5y94 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
4UIO
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BU of 4uio by Molmil
Structure of the Salmonella typhi Type I Dehydroquinase covalently inhibited by a 3-dehydroquinic acid derivative
分子名称: (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2015-03-30
公開日2015-07-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Chemical Modification of a Dehydratase Enzyme Involved in Bacterial Virulence by an Ammonium Derivative: Evidence of its Active Site Covalent Adduct.
J.Am.Chem.Soc., 137, 2015
4UI1
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BU of 4ui1 by Molmil
Crystal structure of the human RGMC-BMP2 complex
分子名称: 1,2-ETHANEDIOL, BONE MORPHOGENETIC PROTEIN 2, CHLORIDE ION, ...
著者Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C.
登録日2015-03-27
公開日2015-05-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein.
Nat.Struct.Mol.Biol., 22, 2015
6KPL
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BU of 6kpl by Molmil
Crystal Structure of endo-beta-N-acetylglucosaminidase from Cordyceps militaris in apo form
分子名称: Chitinase, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
著者Seki, H, Arakawa, T, Yamada, C, Takegawa, K, Fushinobu, S.
登録日2019-08-15
公開日2019-10-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for the specific cleavage of core-fucosylatedN-glycans by endo-beta-N-acetylglucosaminidase from the fungusCordyceps militaris.
J.Biol.Chem., 294, 2019
4UIV
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BU of 4uiv by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 9, N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2-carboximidamide
著者Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
登録日2015-04-03
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UBU
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BU of 4ubu by Molmil
Structure of a modified C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with CoA
分子名称: Acetyl-CoA acetyltransferase FadA5, COENZYME A, GLYCEROL
著者Schaefer, C.M, Kisker, C.
登録日2014-08-13
公開日2014-12-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
6KWG
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BU of 6kwg by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Li, C, Wan, Q.
登録日2019-09-06
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
4U79
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BU of 4u79 by Molmil
Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor.
分子名称: Mitogen-activated protein kinase 10, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
著者Mohr, C.
登録日2014-07-30
公開日2014-10-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
4UHY
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BU of 4uhy by Molmil
Crystal structure of the human RGMA-BMP2 complex
分子名称: BONE MORPHOGENETIC PROTEIN 2, REPULSIVE GUIDANCE MOLECULE A
著者Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C.
登録日2015-03-27
公開日2015-05-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein.
Nat.Struct.Mol.Biol., 22, 2015
6Y1T
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BU of 6y1t by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification
分子名称: 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ...
著者Ortmayer, M, Levy, C, Green, A.P.
登録日2020-02-13
公開日2021-06-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
6Y2Y
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BU of 6y2y by Molmil
The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with Trp51 to S-Trp51 and Trp191Phe modifications
分子名称: 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ...
著者Ortmayer, M, Levy, C, Green, A.P.
登録日2020-02-17
公開日2021-06-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Jacs Au, 1, 2021
4UOT
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BU of 4uot by Molmil
Thermodynamic hyperstability in parametrically designed helical bundles
分子名称: DESIGNED HELICAL BUNDLE 5H2L
著者Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D.
登録日2014-06-09
公開日2014-11-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献High Thermodynamic Stability of Parametrically Designed Helical Bundles
Science, 346, 2014
6LHF
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BU of 6lhf by Molmil
Crystal structure of chicken cCD8aa/pBF2*15:01
分子名称: Beta-2-microglobulin, CD8 alpha chain, MHC class I, ...
著者Liu, Y.J, Xia, C.
登録日2019-12-08
公開日2020-12-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Combination of CD8 alpha alpha and Peptide-MHC-I in a Face-to-Face Mode Promotes Chicken gamma delta T Cells Response.
Front Immunol, 11, 2020
6YD1
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BU of 6yd1 by Molmil
SaFtsZ-DFMBA
分子名称: 2,6-difluoro-3-methoxybenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
著者Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
登録日2020-03-20
公開日2021-07-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
6YD6
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SaFtsZ-UCM152 (comp.20)
分子名称: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide, ...
著者Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
登録日2020-03-20
公開日2021-07-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
6YD5
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BU of 6yd5 by Molmil
SaFtsZ-UCM151 (comp. 18)
分子名称: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide, ...
著者Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
登録日2020-03-20
公開日2021-07-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
4UIU
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BU of 4uiu by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1- thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2-carboxamide
分子名称: BROMODOMAIN-CONTAINING PROTEIN 9, N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide
著者Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
登録日2015-04-03
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
6YAX
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Crystal structure of CD32b (Fc Gamma Receptor IIb) in complex with Human IgG1 Fab fragment (5C05)
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, 5C05 F(ab) heavy chain, ...
著者Fisher, H, Tews, I, Orr, C.
登録日2020-03-14
公開日2021-10-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of CD32b (Fc Gamma Receptor IIb) in complex with Human IgG1 Fab fragment (5C05)
To Be Published
6YR6
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BU of 6yr6 by Molmil
14-3-3 sigma in complex with hDM2-186 peptide
分子名称: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ...
著者Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C.
登録日2020-04-19
公開日2021-11-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022
4UCY
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BU of 4ucy by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
分子名称: RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION
著者Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
登録日2014-12-05
公開日2015-11-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015

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