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6KP6
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BU of 6kp6 by Molmil
The structural study of mutation induced inactivation of Human muscarinic receptor M4
分子名称: Muscarinic acetylcholine receptor M4,GlgA glycogen synthase,Muscarinic acetylcholine receptor M4
著者Wang, J.J, Wu, M, Wu, L.J, Liu, Z.J, Hua, T.
登録日2019-08-14
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structural study of mutation-induced inactivation of human muscarinic receptor M4
Iucrj, 7, 2020
3PHD
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BU of 3phd by Molmil
Crystal structure of human HDAC6 in complex with ubiquitin
分子名称: Histone deacetylase 6, Polyubiquitin, ZINC ION
著者Dong, A, Qui, W, Ravichandran, M, Schuetz, A, Loppnau, P, Li, F, Mackenzie, F, Kozieradzki, I, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2010-11-03
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Protein Aggregates Are Recruited to Aggresome by Histone Deacetylase 6 via Unanchored Ubiquitin C Termini.
J.Biol.Chem., 287, 2012
7MDN
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BU of 7mdn by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a
分子名称: Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide
著者Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2021-04-05
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
7E9Q
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BU of 7e9q by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-03-04
公開日2022-03-09
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9O
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Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-03-04
公開日2022-03-09
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9P
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BU of 7e9p by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(state2, local refinement of the RBD and 35B5 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-03-04
公開日2022-03-23
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENG
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BU of 7eng by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 (local refinement of the RBD and Fab30)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, Light chain of Fab30, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-04-16
公開日2022-04-06
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9N
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BU of 7e9n by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-03-04
公開日2022-04-06
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENF
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BU of 7enf by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30
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, Heavy chain of Fab30, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-04-16
公開日2022-04-06
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7F46
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BU of 7f46 by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-06-17
公開日2022-03-23
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (4.79 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
6MX8
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BU of 6mx8 by Molmil
Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib
分子名称: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Dougan, D.R, Zhou, T.
登録日2018-10-30
公開日2018-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
7C83
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BU of 7c83 by Molmil
Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ren, R.B, Han, Y.F, Xiao, Q.J, Deng, D.
登録日2020-05-28
公開日2021-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism.
Nat Commun, 12, 2021
3NY1
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BU of 3ny1 by Molmil
Structure of the ubr-box of the UBR1 ubiquitin ligase
分子名称: E3 ubiquitin-protein ligase UBR1, ZINC ION
著者Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
登録日2010-07-14
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
3NY2
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BU of 3ny2 by Molmil
Structure of the ubr-box of UBR2 ubiquitin ligase
分子名称: E3 ubiquitin-protein ligase UBR2, ZINC ION
著者Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
登録日2010-07-14
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
3NY3
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BU of 3ny3 by Molmil
Structure of the ubr-box of UBR2 in complex with N-degron
分子名称: E3 ubiquitin-protein ligase UBR2, N-degron, ZINC ION
著者Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
登録日2010-07-14
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
8HL8
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BU of 8hl8 by Molmil
Crystal structrue of MtdL R257K mutant
分子名称: MANGANESE (II) ION, Transglycosylse
著者Li, F.D, He, C.
登録日2022-11-29
公開日2023-03-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-11-21
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
5B88
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BU of 5b88 by Molmil
RRM-like domain of DEAD-box protein, CsdA
分子名称: ATP-dependent RNA helicase DeaD
著者Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y.
登録日2016-06-13
公開日2017-05-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
5ARG
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BU of 5arg by Molmil
SMYD2 in complex with SGC probe BAY-598
分子名称: GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ...
著者Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H.
登録日2015-09-24
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
5ARF
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BU of 5arf by Molmil
SMYD2 in complex with small molecule inhibitor compound-2
分子名称: N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ...
著者Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H.
登録日2015-09-24
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
5CX3
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BU of 5cx3 by Molmil
Crystal structure of FYCO1 LIR in complex with LC3A
分子名称: FYVE and coiled-coil domain-containing protein 1, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
著者Cheng, X, Pan, L.
登録日2015-07-28
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of FYCO1 and MAP1LC3A interaction reveals a novel binding mode for Atg8-family proteins.
Autophagy, 12, 2016
6IYF
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BU of 6iyf by Molmil
Structure of pSTING complex
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
著者Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
登録日2018-12-15
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.764 Å)
主引用文献Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
3HA8
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THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b
分子名称: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
著者Zhao, B, Clark, M.A.
登録日2009-05-01
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
6K7S
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BU of 6k7s by Molmil
Crystal structure of thymidylate synthase from shrimp
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
6K7Q
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Crystal structure of thymidylate synthase from shrimp
分子名称: SULFATE ION, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020

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