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8AHF
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BU of 8ahf by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
分子名称: (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase
著者Baker, L.M, Murray, J.B, Hubbard, R.E.
登録日2022-07-21
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8BT6
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BU of 8bt6 by Molmil
Crystal structure of Toxoplasma gondii glideosome-associated connector
分子名称: ACETATE ION, POTASSIUM ION, Putative anonymous antigen-1
著者Hung, Y.F, Kursula, I.
登録日2022-11-27
公開日2023-04-05
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure of Toxoplasma gondii glideosome-associated connector suggests a role as an elastic element to assist myosin A in generating force for gliding motility
To Be Published
7C96
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BU of 7c96 by Molmil
Avr1d:GmPUB13 U-box
分子名称: RING-type E3 ubiquitin transferase, RxLR effector protein Avh6
著者Xing, W, Hu, Q, Zhou, J, Yao, D.
登録日2020-06-05
公開日2021-03-17
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Phytophthora sojae effector Avr1d functions as an E2 competitor and inhibits ubiquitination activity of GmPUB13 to facilitate infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CAI
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BU of 7cai by Molmil
SARS-CoV-2 S trimer with two RBDs in the open state and complexed with two H014 Fab
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 H014 Fab, ...
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-09-23
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
7CAH
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BU of 7cah by Molmil
The interface of H014 Fab binds to SARS-CoV-2 S
分子名称: Heavy chain of H014 Fab, Light chain of H014 Fab, Spike protein S1
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Rao, Z, wang, Y, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-08-12
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
7CAK
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BU of 7cak by Molmil
SARS-CoV-2 S trimer with three RBD in the open state and complexed with three H014 Fab
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 H014 Fab, ...
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-09-23
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
7CAB
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BU of 7cab by Molmil
Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody
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, Spike glycoprotein
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-12-16
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
7CAC
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BU of 7cac by Molmil
SARS-CoV-2 S trimer with one RBD in the open state and complexed with one H014 Fab.
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 H014 Fab, ...
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2021-02-24
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
1U4A
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BU of 1u4a by Molmil
Solution structure of human SUMO-3 C47S
分子名称: Ubiquitin-like protein SMT3A
著者Ding, H, Xu, Y, Dai, H, Tang, Y, Wu, J, Shi, Y.
登録日2004-07-23
公開日2005-03-08
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Solution Structure of Human SUMO-3 C47S and Its Binding Surface for Ubc9
Biochemistry, 44, 2005
6UMI
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BU of 6umi by Molmil
Crystal structure of erenumab Fab-b
分子名称: erenumab Fab heavy chain, IgG1, erenumab Fab light chain
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMH
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BU of 6umh by Molmil
Crystal structure of erenumab Fab-a
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-PROPANDIOL, PHOSPHATE ION, ...
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMJ
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BU of 6umj by Molmil
Crystal structure of erenumab Fab-c
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-BUTANEDIOL, erenumab Fab heavy chain, ...
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMG
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BU of 6umg by Molmil
Crystal structure of erenumab Fab bound to the extracellular domain of CGRP receptor
分子名称: Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1, erenumab Fab heavy chain, ...
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6VCB
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BU of 6vcb by Molmil
Cryo-EM structure of the Glucagon-like peptide-1 receptor in complex with G protein, GLP-1 peptide and a positive allosteric modulator
分子名称: 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
著者Sun, B, Feng, D, Bueno, A, Kobilka, B, Sloop, K.
登録日2019-12-20
公開日2020-07-22
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into probe-dependent positive allosterism of the GLP-1 receptor.
Nat.Chem.Biol., 16, 2020
2MAW
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BU of 2maw by Molmil
NMR structures of the alpha7 nAChR transmembrane domain.
分子名称: Neuronal acetylcholine receptor subunit alpha-7
著者Bondarenko, V, Mowrey, D, Xu, Y, Tang, P.
登録日2013-07-19
公開日2013-11-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into distinct modulation of alpha 7 and alpha 7 beta 2 nicotinic acetylcholine receptors by the volatile anesthetic isoflurane.
J.Biol.Chem., 288, 2013
6IV9
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BU of 6iv9 by Molmil
the Cas13d binary complex
分子名称: Cas13d, MAGNESIUM ION, crRNA (50-MER)
著者Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y.
登録日2018-12-02
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
6IV8
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BU of 6iv8 by Molmil
the selenomethionine(SeMet)-derived Cas13d binary complex
分子名称: MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ...
著者Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y.
登録日2018-12-02
公開日2019-06-19
最終更新日2019-06-26
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
8SUX
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BU of 8sux by Molmil
Structure of E. coli PtuA hexamer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PtuA
著者Shen, Z.F, Yang, X.Y, Fu, T.M.
登録日2023-05-13
公開日2024-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense.
Nat.Struct.Mol.Biol., 31, 2024
8T9Z
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BU of 8t9z by Molmil
Structural of M8C10 Fab in complex human metapneumovirus fusion protein
分子名称: Fusion glycoprotein F0, M8C10 Fab Heavy Chain, M8C10 Fab Light Chain
著者Su, H.P, Eddins, M.J, Shipman, J.M, Kostas, J, Reid, J.C.
登録日2023-06-26
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Structural characterization of M8C10, a neutralizing antibody targeting a highly conserved prefusion-specific epitope on the metapneumovirus fusion trimerization interface.
J.Virol., 97, 2023
5JHH
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BU of 5jhh by Molmil
Crystal structure of the ternary complex between the human RhoA, its inhibitor and the DH/PH domain of human ARHGEF11
分子名称: 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid, GLYCEROL, Rho guanine nucleotide exchange factor 11, ...
著者Lv, Z, Wang, R, Ma, L, Miao, Q, Wu, J, Yan, Z, Li, J, Miao, L, Wang, F.
登録日2016-04-21
公開日2017-04-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and PDZRhoGEF
To Be Published
8H0Z
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BU of 8h0z by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation
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, BILIVERDINE IX ALPHA, ...
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
7C8D
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BU of 7c8d by Molmil
Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD
分子名称: Angiotensin-converting enzyme 2, Spike protein S1, ZINC ION
著者Gao, G.F, Wang, Q.H, Wu, L.l.
登録日2020-05-29
公開日2020-09-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2.
Cell Discov, 6, 2020
4L08
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BU of 4l08 by Molmil
Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16
分子名称: Hydrolase, isochorismatase family, MALEIC ACID
著者Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P.
登録日2013-05-31
公開日2014-07-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
4L07
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BU of 4l07 by Molmil
Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16
分子名称: GLYCEROL, Hydrolase, isochorismatase family, ...
著者Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P.
登録日2013-05-30
公開日2014-07-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
5FNV
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BU of 5fnv by Molmil
a new complex structure of tubulin with an alpha-beta unsaturated lactone
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wang, Y, Naismith, J, Zhu, X.
登録日2015-11-16
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule.
Nat.Commun., 7, 2016

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