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2FEI
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BU of 2fei by Molmil
Solution structure of the second SH3 domain of Human CMS protein
分子名称: CD2-associated protein
著者Yao, B, Dai, H, Jiao, Y, Wu, J, Shi, Y.
登録日2005-12-15
公開日2006-12-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the second SH3 domain of human CMS and a newly identified binding site at the C-terminus of c-Cbl
Biochim.Biophys.Acta, 1774, 2007
6L1F
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BU of 6l1f by Molmil
Crystal structure of PHF20L1 Tudor1 in complex with K142me1 DNMT1
分子名称: PHD finger protein 20-like protein 1, the K142me1 DNMT1 peptide
著者Lv, M.Q, Gao, J.
登録日2019-09-29
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6LAF
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BU of 6laf by Molmil
Crystal structure of the core domain of Amuc_1100 from Akkermansia muciniphila
分子名称: Amuc_1100, SULFATE ION
著者Wang, J, Xiang, R, Zhang, M, Wang, M.
登録日2019-11-12
公開日2020-08-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献The variable oligomeric state of Amuc_1100 from Akkermansia muciniphila.
J.Struct.Biol., 212, 2020
7Y7P
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BU of 7y7p by Molmil
QDE-1 in complex with RNA template, RNA primer and AMPNPP
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Cui, R.X, Gan, J.H, Ma, J.B.
登録日2022-06-22
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Nucleic Acids Res., 50, 2022
7Y7Q
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BU of 7y7q by Molmil
QDE-1 in complex with RNA template, RNA primer and 3'-dGTP
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Cui, R.X, Gan, J.H, Ma, J.B.
登録日2022-06-22
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Nucleic Acids Res., 50, 2022
7Y7R
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BU of 7y7r by Molmil
QDE-1 in complex with DNA template, RNA primer and 3'-dGTP
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*AP*AP*CP*TP*AP*CP*CP*GP*TP*CP*GP*GP*A)-3'), ...
著者Cui, R.X, Gan, J.H, Ma, J.B.
登録日2022-06-22
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Nucleic Acids Res., 50, 2022
7Y7S
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BU of 7y7s by Molmil
QDE-1 in complex with DNA template, RNA primer and AMPNPP
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Cui, R.X, Gan, J.H, Ma, J.B.
登録日2022-06-22
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Nucleic Acids Res., 50, 2022
7Y7T
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BU of 7y7t by Molmil
QDE-1 in complex with 12nt DNA template, ATP and 3'-dGTP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*AP*G*AP*GP*AP*CP*CP*TP*TP*TP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, ...
著者Cui, R.X, Gan, J.H, Ma, J.B.
登録日2022-06-22
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Nucleic Acids Res., 50, 2022
3GYN
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BU of 3gyn by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor
分子名称: N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
著者Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
登録日2009-04-04
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
8DOC
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BU of 8doc by Molmil
Crystal structure of RPE65 in complex with compound 16e and palmitate
分子名称: (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FE (II) ION, ...
著者Bassetto, M, Kiser, P.D.
登録日2022-07-12
公開日2023-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tuning the Metabolic Stability of Visual Cycle Modulators through Modification of an RPE65 Recognition Motif.
J.Med.Chem., 66, 2023
8E1P
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BU of 8e1p by Molmil
Crystal structure of BG505 SOSIP.v4.1-GT1.2 trimer in complex with gl-PGV20 and PGT124 Fabs
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, BG505-SOSIP.v4.1-GT1.2gp120, ...
著者Sarkar, A, Kumar, S, Wilson, I.A.
登録日2022-08-11
公開日2023-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.82 Å)
主引用文献Germline-targeting HIV-1 Env vaccination induces VRC01-class antibodies with rare insertions.
Cell Rep Med, 4, 2023
6JKM
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BU of 6jkm by Molmil
Crystal structure of BubR1 kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
登録日2019-03-01
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
3IGV
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BU of 3igv by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor
分子名称: N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
登録日2009-07-28
公開日2009-12-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
6JKK
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BU of 6jkk by Molmil
Crystal structure of BubR1 kinase domain
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1
著者Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
登録日2019-03-01
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
8FQ7
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BU of 8fq7 by Molmil
Nanobody with WIW inserted in CDR3 loop to Inhibit Growth of Alzheimer's Tau fibrils
分子名称: GLYCEROL, Nanobody with WIW insert in CDR3 loop to target tau fibrils
著者Abskharon, R, Sawaya, M.R, Cascio, D.C, Eisenberg, D.S.
登録日2023-01-05
公開日2023-10-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-based design of nanobodies that inhibit seeding of Alzheimer's patient-extracted tau fibrils.
Proc.Natl.Acad.Sci.USA, 120, 2023
5GH9
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BU of 5gh9 by Molmil
Crystal structure of CBP Bromodomain with H3K56ac peptide
分子名称: CREB-binding protein, Histone H3
著者Xu, L.
登録日2016-06-19
公開日2017-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
6AGF
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BU of 6agf by Molmil
Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N.
登録日2018-08-11
公開日2018-10-10
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1.
Science, 362, 2018
8HIT
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BU of 8hit by Molmil
Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4
分子名称: Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL
著者Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J.
登録日2022-11-21
公開日2023-02-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
分子名称: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
著者Liu, J, Ruan, K.
登録日2017-10-09
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
6BAW
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BU of 6baw by Molmil
Structure of GRP94 with a selective resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, Endoplasmin, PHOSPHATE ION, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2017-10-16
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
6C91
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BU of 6c91 by Molmil
Structure of GRP94 with a resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol, Endoplasmin, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-01-25
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1O
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Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
6CEO
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Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha, MAGNESIUM ION, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-02-12
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018

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