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3WC9
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BU of 3wc9 by Molmil
The complex structure of HsSQS wtih ligand, FSPP
分子名称: S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-26
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3RAB
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BU of 3rab by Molmil
GPPNHP-BOUND RAB3A AT 2.0 A RESOLUTION
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PROTEIN (RAB3A)
著者Dumas, J.J, Zhu, Z, Connolly, J.L, Lambright, D.G.
登録日1998-11-16
公開日1999-04-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of activation and GTP hydrolysis in Rab proteins.
Structure Fold.Des., 7, 1999
4HAI
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BU of 4hai by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide.
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide, ...
著者Pecic, S, Pakhomova, S, Newcomer, M.E, Morisseau, C, Hammock, B.D, Zhu, Z, Deng, S.
登録日2012-09-26
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6AI8
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BU of 6ai8 by Molmil
Cab2 mutant-H337A
分子名称: GLYCEROL, Phosphopantothenate--cysteine ligase CAB2, SULFATE ION
著者Zheng, P, Zhu, Z.
登録日2018-08-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
4NQ0
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BU of 4nq0 by Molmil
Structural insights into yeast histone chaperone Hif1: a scaffold protein recruiting protein complexes to core histones
分子名称: HAT1-interacting factor 1
著者Liu, H, Zhang, M, He, W, Zhu, Z, Teng, M, Gao, Y, Niu, L.
登録日2013-11-23
公開日2014-07-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into yeast histone chaperone Hif1: a scaffold protein recruiting protein complexes to core histones
Biochem.J., 462, 2014
6AIP
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BU of 6aip by Molmil
Cab2 mutant-H337A complex with phosphopantothenoylcystine
分子名称: (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name), Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-24
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6AIK
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BU of 6aik by Molmil
Cab2 mutant H337A complex with phosphopantothenoyl-CMP
分子名称: PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-24
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6J71
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BU of 6j71 by Molmil
HuA21-scFv in complex with the extracellular domain(ECD) of HER2
分子名称: Receptor tyrosine-protein kinase erbB-2, anti-HER2 humanized antibody HuA21, beta-D-mannopyranose, ...
著者Wang, Z, Guo, G, Cheng, B, Zhu, Z, Niu, L, Zhang, H.
登録日2019-01-16
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural insight into a matured humanized monoclonal antibody HuA21 against HER2-overexpressing cancer cells.
Acta Crystallogr D Struct Biol, 75, 2019
5ZN9
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BU of 5zn9 by Molmil
Crystal structure of PX domain
分子名称: SULFATE ION, Sorting nexin-27
著者Li, Y, Zhu, Z, Li, F, Liao, S, Xu, C.
登録日2018-04-08
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Crystal structure of PX domain
To Be Published
6AI9
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BU of 6ai9 by Molmil
Cab2 mutant-H337A complex with phosphopantothenate
分子名称: N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6AIM
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BU of 6aim by Molmil
Cab2 mutant H337A complex with phosphopantothenate-cysteine
分子名称: N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-24
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6KHS
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BU of 6khs by Molmil
Crystal structure of HEMK2/TRMT112 in complex with SAH and MEQ
分子名称: Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, N5-METHYLGLUTAMINE, ...
著者Liao, S, Guo, Q, Zhu, Z.
登録日2019-07-16
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Crystal structure of HEMK2/TRMT112 in complex with SAH and MEQ
To Be Published
7VUX
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BU of 7vux by Molmil
Complex structure of PD1 and 609A-Fab
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Huang, H, Zhu, Z, Zhao, J, Jiang, L, Yang, H, Deng, L, Meng, X, Ding, J, Yang, S, Zhao, L, Xu, W, Wang, X.
登録日2021-11-04
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A strategy for the efficient construction of anti-PD1-based bispecific antibodies with desired IgG-like properties.
Mabs, 14, 2022
2RAC
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BU of 2rac by Molmil
AMICYANIN REDUCED, PH 7.7, 1.3 ANGSTROMS
分子名称: COPPER (I) ION, PROTEIN (AMICYANIN)
著者Cunane, L.M, Chen, Z.-W, Durley, R.C.E, Mathews, F.S.
登録日1998-10-02
公開日1998-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis for interprotein complex-dependent effects on the redox properties of amicyanin.
Biochemistry, 37, 1998
3HDB
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BU of 3hdb by Molmil
Crystal structure of AaHIV, A metalloproteinase from venom of Agkistrodon Acutus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AAHIV, CALCIUM ION, ...
著者Zhu, Z.Q, Niu, L.W, Teng, M.K.
登録日2009-05-07
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis of the autolysis of AaHIV suggests a novel target recognizing model for ADAM/reprolysin family proteins
Biochem.Biophys.Res.Commun., 386, 2009
1BXA
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BU of 1bxa by Molmil
AMICYANIN REDUCED, PH 4.4, 1.3 ANGSTROMS
分子名称: COPPER (I) ION, PROTEIN (AMICYANIN)
著者Cunane, L.M, Chen, Z.W, Durley, R.C.E, Mathews, F.S.
登録日1998-10-01
公開日1998-10-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis for interprotein complex-dependent effects on the redox properties of amicyanin.
Biochemistry, 37, 1998
2G75
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BU of 2g75 by Molmil
Crystal Structure of anti-SARS m396 Antibody
分子名称: IGG Heavy Chain, IGG Light Chain
著者Prabakaran, P, Gan, J.H, Feng, Y, Zhu, Z.Y, Xiao, X.D, Ji, X, Dimitrov, D.S.
登録日2006-02-27
公開日2006-04-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure of severe acute respiratory syndrome coronavirus receptor-binding domain complexed with neutralizing antibody.
J.Biol.Chem., 281, 2006
1W24
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BU of 1w24 by Molmil
Crystal Structure Of human Vps29
分子名称: VACUOLAR PROTEIN SORTING PROTEIN 29
著者Wang, D, Guo, M, Teng, M, Niu, L.
登録日2004-06-26
公開日2005-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Human Vacuolar Protein Sorting Protein 29 Reveals a Phosphodiesterase/Nuclease-Like Fold and Two Protein-Protein Interaction Sites.
J.Biol.Chem., 280, 2005
6WJL
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BU of 6wjl by Molmil
Crystal structure of Glypican-2 core protein in complex with D3 Fab
分子名称: D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ...
著者Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P.
登録日2020-04-14
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope.
Cell Rep Med, 2, 2021
6E7R
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BU of 6e7r by Molmil
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-4
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, CHLORIDE ION, ...
著者Regan, M.C, Furukawa, H.
登録日2018-07-27
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural elements of a pH-sensitive inhibitor binding site in NMDA receptors
Nat Commun, 10, 2019
4NRY
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BU of 4nry by Molmil
Crystal Structure of HIV-1 Neutralizing Antibody m66
分子名称: m66 Heavy Chain, m66 Light Chain
著者Ofek, G, Yang, Y, Kwong, P.D.
登録日2013-11-27
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Structural Basis for HIV-1 Neutralization by 2F5-Like Antibodies m66 and m66.6.
J.Virol., 88, 2014
6LCY
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BU of 6lcy by Molmil
Crystal structure of Synaptotagmin-7 C2B in complex with IP6
分子名称: INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7
著者Zhang, Y, Zhang, X, Rao, F, Wang, C.
登録日2019-11-20
公開日2021-03-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
3E8R
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BU of 3e8r by Molmil
Crystal structure of catalytic domain of TACE with hydroxamate inhibitor
分子名称: (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ...
著者Orth, P.
登録日2008-08-20
公開日2008-10-21
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024

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