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6UP4
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BU of 6up4 by Molmil
Crystal structure of the murine DHX36 helicase in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Dhx36 protein, MAGNESIUM ION
著者Liu, Z, Xiao, T.S.
登録日2019-10-16
公開日2020-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Function of Auxiliary Domains of the DEAH/RHA Helicase DHX36 in RNA Remodeling.
J.Mol.Biol., 432, 2020
6ZGM
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BU of 6zgm by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681
分子名称: 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-06-19
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae.
Acs Infect Dis., 6, 2020
6ZXI
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BU of 6zxi by Molmil
Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-07-29
公開日2021-08-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii.
J.Med.Chem., 63, 2020
2N7H
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BU of 2n7h by Molmil
Hybrid structure of the Type 1 Pilus of Uropathogenic E.coli
分子名称: FimA
著者Habenstein, B, Loquet, A, Giller, K, Vasa, S, Becker, S, Habeck, M, Lange, A.
登録日2015-09-11
公開日2015-09-23
最終更新日2015-10-14
実験手法SOLID-STATE NMR
主引用文献Hybrid Structure of the Type 1 Pilus of Uropathogenic Escherichia coli.
Angew.Chem.Int.Ed.Engl., 54, 2015
2MME
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BU of 2mme by Molmil
Hybrid structure of the Shigella flexneri MxiH Type three secretion system needle
分子名称: MxiH
著者Demers, J.P, Habenstein, B, Loquet, A, Vasa, S.K, Becker, S, Baker, D, Lange, A, Sgourakis, N.G.
登録日2014-03-14
公開日2014-10-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (7.7 Å), SOLID-STATE NMR
主引用文献High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy.
Nat Commun, 5, 2014
6DMZ
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BU of 6dmz by Molmil
Solution structure of ZmD32
分子名称: Flower-specific gamma-thionin
著者Harvey, P.J, Craik, D.J.
登録日2018-06-05
公開日2019-05-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Salt-Tolerant Antifungal and Antibacterial Activities of the Corn Defensin ZmD32.
Front Microbiol, 10, 2019
7JNN
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BU of 7jnn by Molmil
NMR Solution Structure of plant defensin SlD26
分子名称: SlD26 plant defensin
著者Harvey, P.J, Craik, D.J.
登録日2020-08-04
公開日2020-09-09
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Histidine-Rich Defensins from the Solanaceae and Brasicaceae Are Antifungal and Metal Binding Proteins.
J Fungi (Basel), 6, 2020
7JN6
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BU of 7jn6 by Molmil
NMR Solution Structure of plant defensin AtD90
分子名称: Defensin-like protein 204
著者Harvey, P.J, Craik, D.J.
登録日2020-08-03
公開日2020-09-09
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Histidine-Rich Defensins from the Solanaceae and Brasicaceae Are Antifungal and Metal Binding Proteins.
J Fungi (Basel), 6, 2020
6MFP
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BU of 6mfp by Molmil
Crystal Structure of the RV305 C1-C2 specific ADCC potent antibody DH677.3 Fab in complex with HIV-1 clade A/E gp120 and M48U1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Tolbert, W.D, Young, B, Pazgier, M.
登録日2018-09-11
公開日2019-09-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
6MFJ
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BU of 6mfj by Molmil
Crystal structure of the ADCC potent antibody DH677.3 Fab elicited in the RV305 vaccine trial.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH677.3 Fab heavy chain, DH677.3 Fab light chain
著者Young, B, Tolbert, W.D, Pazgier, M.
登録日2018-09-11
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
6VBP
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BU of 6vbp by Molmil
Crystal structure of anti-HIV-1 antibody DH815 bound to gp120 V2 peptide
分子名称: CHLORIDE ION, DH815 heavy chain, DH815 light chain, ...
著者Janus, B.M, Ofek, G.
登録日2019-12-19
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
6VBQ
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BU of 6vbq by Molmil
Crystal structure of anti-HIV-1 antibody DH822 bound to gp120 V2 peptide
分子名称: DH822 heavy chain, DH822 light chain, Envelope glycoprotein gp160
著者Janus, B.M, Ofek, G.
登録日2019-12-19
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.116 Å)
主引用文献HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
6VBO
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BU of 6vbo by Molmil
Crystal structure of anti-HIV-1 antibody DH813 bound to gp120 V2 peptide
分子名称: DH813 heavy chain, DH813 light chain, Envelope glycoprotein gp160
著者Janus, B.M, Ofek, G.
登録日2019-12-19
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
8FHY
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BU of 8fhy by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5021
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MALONATE ION, ...
著者Sankhala, R.S, Jensen, J.L, Joyce, M.G.
登録日2022-12-15
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques.
Nat Commun, 15, 2024
8FI9
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BU of 8fi9 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5001
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
著者Sankhala, R.S, Jensen, J.L, Joyce, M.G.
登録日2022-12-15
公開日2024-01-17
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques.
Nat Commun, 15, 2024
6XFP
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BU of 6xfp by Molmil
Crystal Structure of BRAF kinase domain bound to Belvarafenib
分子名称: 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Yin, J, Sudhamsu, J.
登録日2020-06-16
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma.
Nature, 594, 2021
5UIX
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BU of 5uix by Molmil
Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial
分子名称: DH576 Fab heavy chain, DH576 Fab light chain
著者Fera, D, Harrison, S.C.
登録日2017-01-15
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Boosting of HIV envelope CD4 binding site antibodies with long variable heavy third complementarity determining region in the randomized double blind RV305 HIV-1 vaccine trial.
PLoS Pathog., 13, 2017
1PRO
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BU of 1pro by Molmil
HIV-1 PROTEASE DIMER COMPLEXED WITH A-98881
分子名称: (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE, HIV-1 PROTEASE
著者Park, C.H, Kong, X.P, Dealwis, C.G.
登録日1995-07-18
公開日1996-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease.
J.Med.Chem., 39, 1996
5WKH
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BU of 5wkh by Molmil
D30 TCR in complex with HLA-A*11:01-GTS3
分子名称: Beta-2-microglobulin, D30 TCR beta chain, GTS3 peptide, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-09-20
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
5WKF
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BU of 5wkf by Molmil
D30 TCR in complex with HLA-A*11:01-GTS1
分子名称: Beta-2-microglobulin, D30 TCR beta chain, GTS1 peptide, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-25
公開日2017-09-20
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
5WJN
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BU of 5wjn by Molmil
Crystal Structure of HLA-A*11:01-GTS3
分子名称: Beta-2-microglobulin, GTS3 peptide, HLA class I histocompatibility antigen, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-23
公開日2017-09-20
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
5WJL
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BU of 5wjl by Molmil
Crystal Structure of HLA-A*11:01 with GTS1 peptide
分子名称: Beta-2-microglobulin, CHLORIDE ION, GTS1 peptide, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-23
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
8F5U
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BU of 8f5u by Molmil
Rabbit muscle pyruvate kinase in complex with magnesium, potassium and pyruvate
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Holyoak, T, Fenton, A.W.
登録日2022-11-15
公開日2023-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
8F5T
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BU of 8f5t by Molmil
Rabbit muscle pyruvate kinase in complex with sodium and magnesium
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
著者Holyoak, T, Fenton, A.W.
登録日2022-11-15
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
8F6M
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Complex of Rabbit muscle pyruvate kinase with ADP and the phosphonate analogue of PEP mimicking the Michaelis complex.
分子名称: (E)-2-METHYL-3-PHOSPHONOACRYLATE, ADENOSINE-5'-DIPHOSPHATE, ALANINE, ...
著者Holyoak, T, Fenton, A.W.
登録日2022-11-16
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023

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