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4UAK
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MRCK beta in complex with ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Schuettelkopf, A.W.
登録日2014-08-10
公開日2014-10-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
4UBF
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BU of 4ubf by Molmil
HsMCAK motor domain complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION
著者Welburn, J.P.I, Talapatra, S.K.
登録日2014-08-12
公開日2015-05-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The C-terminal region of the motor protein MCAK controls its structure and activity through a conformational switch.
Elife, 4, 2015
4UBQ
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BU of 4ubq by Molmil
Crystal Structure of IMP-2 Metallo-beta-Lactamase from Acinetobacter spp.
分子名称: ACETATE ION, Beta-lactamase, ZINC ION
著者Yamaguchi, Y, Matsueda, S, Matsunaga, K, Takashio, N, Toma-Fukai, S, Yamagata, Y, Shibata, N, Wachino, J, Shibayama, K, Arakawa, Y, Kurosaki, H.
登録日2014-08-13
公開日2014-12-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of IMP-2 metallo-beta-lactamase from Acinetobacter spp.: comparison of active-site loop structures between IMP-1 and IMP-2.
Biol.Pharm.Bull., 38, 2015
4UC2
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BU of 4uc2 by Molmil
Crystal structure of translocator protein 18kDa (TSPO) from rhodobacter sphaeroides (A139T mutant) in P212121 space group
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, TETRAETHYLENE GLYCOL, TRANSLOCATOR PROTEIN TSPO
著者Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
4UF1
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Deerpox virus DPV022 in complex with Bak BH3
分子名称: Antiapoptotic membrane protein, Bcl-2 homologous antagonist/killer, SULFATE ION
著者Burton, D.R, Kvansakul, M.
登録日2014-12-23
公開日2015-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis.
Acta Crystallogr.,Sect.D, 71, 2015
4UOI
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BU of 4uoi by Molmil
Unexpected structure for the N-terminal domain of Hepatitis C virus envelope glycoprotein E1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GENOME POLYPROTEIN
著者El Omari, K, Iourin, O, Kadlec, J, Harlos, K, Grimes, J.M, Stuart, D.I.
登録日2014-06-04
公開日2014-08-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Unexpected Structure for the N-Terminal Domain of Hepatitis C Virus Envelope Glycoprotein E1
Acta Crystallogr.,Sect.D, 70, 2014
4UID
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BU of 4uid by Molmil
Crystal structure of the S-layer protein SbsC domains 4 and 5
分子名称: SURFACE LAYER PROTEIN
著者Pavkov-Keller, T, Dordic, A, Egelseer, E.M, Sleytr, U.B, Keller, W.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the S-Layer Protein Sbsc
To be Published
4UDE
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BU of 4ude by Molmil
An oligomerization domain confers pioneer properties to the LEAFY master floral regulator
分子名称: GINLFY PROTEIN, GLYCEROL, TETRAETHYLENE GLYCOL
著者Nanao, M.H, Sayou, C, Dumas, R, Parcy, F.
登録日2014-12-10
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A Sam Oligomerization Domain Shapes the Genomic Binding Landscape of the Leafy Transcription Factor
Nat.Commun., 7, 2016
4UFY
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BU of 4ufy by Molmil
Crystal structure of human tankyrase 2 in complex with TA-13
分子名称: 8-METHYL-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-20
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UG6
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BU of 4ug6 by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), CHLORIDE ION, ...
著者Holden, J.K, Poulos, T.L.
登録日2015-03-22
公開日2015-06-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UBL
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BU of 4ubl by Molmil
KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 9.26 MGy
分子名称: DIETHYL HYDROGEN PHOSPHATE, E3
著者Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G.
登録日2014-08-13
公開日2015-08-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
4UB9
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BU of 4ub9 by Molmil
Structural and catalytic characterization of molinate hydrolase
分子名称: Molinate hydrolase, ZINC ION
著者Leite, J.P, Duarte, M, Paiva, A, Ferreira-da-Silva, F, Matias, P.M, Nunes, O, Gales, L.
登録日2014-08-12
公開日2015-06-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-guided engineering of molinate hydrolase for the degradation of thiocarbamate pesticides.
Plos One, 10, 2015
4UCT
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BU of 4uct by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
6DRZ
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BU of 6drz by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
著者McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
4UQ6
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BU of 4uq6 by Molmil
Electron density map of GluA2em in complex with LY451646 and glutamate
分子名称: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID
著者Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
登録日2014-06-20
公開日2014-08-13
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (12.8 Å)
主引用文献Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
4UFZ
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BU of 4ufz by Molmil
Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE
著者Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J.
登録日2015-03-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
4UE0
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BU of 4ue0 by Molmil
Structure of the bovine atadenovirus type 4 fibre head protein
分子名称: CARBONATE ION, FIBER, THIOCYANATE ION
著者Nguyen, T.H, van Raaij, M.J.
登録日2014-12-14
公開日2015-06-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystal structure of the fibre head domain of bovine adenovirus 4, a ruminant atadenovirus.
Virol. J., 12, 2015
4UFW
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BU of 4ufw by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 22)
分子名称: 2-oxopentadecyl-CoA, 4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, CHLORIDE ION, ...
著者Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
登録日2015-03-19
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
4UH1
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BU of 4uh1 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3- yl)-N1,N2-dimethylethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UPJ
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BU of 4upj by Molmil
HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 PROTEASE MUTANT WITH LYS 57 REPLACED BY LEU (K57L) COMPLEX WITH U097410 [4-HYDROXY-3-[1-[3-[[[[(TERT-BUTYLOXYCARBONYL) AMINOMETHYL]CARBONYL]AMINO]PHENYL]PROPYL]COUMARIN
分子名称: ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER, HIV-2 PROTEASE
著者Watenpaugh, K.D, Mulichak, A.M, Janakiraman, M.N.
登録日1996-03-04
公開日1996-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors.
J.Med.Chem., 38, 1995
4UH2
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BU of 4uh2 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(TRIFLUOROMETHYL)PHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
6DRY
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BU of 6dry by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
著者McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
4UPF
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Assembly principles of the unique cage formed by the ATPase RavA hexamer and the lysine decarboxylase LdcI decamer
分子名称: ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE
著者Malet, H, Liu, K, El Bakkouri, M, Chan, S.W.S, Effantin, G, Bacia, M, Houry, W.A, Gutsche, I.
登録日2014-06-16
公開日2014-08-20
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Assembly Principles of a Unique Cage Formed by Hexameric and Decameric E. Coli Proteins.
Elife, 3, 2014
4UF2
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Deerpox virus DPV022 in complex with Bax BH3
分子名称: Antiapoptotic membrane protein, Apoptosis regulator BAX
著者Burton, D.R, Kvansakul, M.
登録日2014-12-23
公開日2015-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis.
Acta Crystallogr.,Sect.D, 71, 2015
4UFX
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BU of 4ufx by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19)
分子名称: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
登録日2015-03-19
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015

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