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7Q0Q
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Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
分子名称: 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ...
著者Pontillo, N, Guskov, A.
登録日2021-10-16
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism
To Be Published
7TBF
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BU of 7tbf by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCA
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Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1
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 antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCC
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Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibodies A19-46.1 and B1-182.1
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 antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
5MNV
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BU of 5mnv by Molmil
Structural and functional characterization of OleP in complex with 6DEB in PEG
分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
著者Parisi, G, Savino, C, Montemiglio, L.C.
登録日2016-12-13
公開日2018-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Substrate-induced conformational change in cytochrome P450 OleP.
FASEB J., 33, 2019
8PIE
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BU of 8pie by Molmil
Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010
分子名称: GLYCEROL, Nucleoside diphosphate kinase B, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
著者Feracci, M, Chazot, A, Ferron, F, Alvarez, K, Canard, B.
登録日2023-06-21
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The activation chain of the broad-spectrum antiviral bemnifosbuvir at atomic resolution
Plos Biol., 2024
8V4X
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BU of 8v4x by Molmil
Structure of MALT1 in complex with an allosteric inhibitor
分子名称: Inhibitor peptide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
著者Judge, R.A, Pappano, W.N.
登録日2023-11-29
公開日2024-05-01
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.486 Å)
主引用文献Inhibition of MALT1 and BCL2 Induces Synergistic Antitumor Activity in Models of B-Cell Lymphoma.
Mol.Cancer Ther., 23, 2024
7QRC
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BU of 7qrc by Molmil
X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor
分子名称: GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide
著者Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G.
登録日2022-01-10
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.
Eur.J.Med.Chem., 243, 2022
4X05
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BU of 4x05 by Molmil
Crystal structure of P domain from norovirus strain Farmington Hills 2004 in complex with HBGA type B (triglycan)
分子名称: Major capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
著者Singh, B.K, Leuthold, M, Hansman, G.S.
登録日2014-11-20
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
7P0Z
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BU of 7p0z by Molmil
2.43 A Mycobacterium marinum EspB.
分子名称: ESX-1 secretion-associated protein EspB
著者Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Ye, G, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G.
登録日2021-07-01
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Priming mycobacterial ESX-secreted protein B to form a channel-like structure.
Curr Res Struct Biol, 3, 2021
7P13
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BU of 7p13 by Molmil
2.29 A Mycobacterium tuberculosis EspB.
分子名称: ESX-1 secretion-associated protein EspB
著者Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Gao, Y, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G.
登録日2021-07-01
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Priming mycobacterial ESX-secreted protein B to form a channel-like structure.
Curr Res Struct Biol, 3, 2021
6OKO
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BU of 6oko by Molmil
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
分子名称: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
著者Pokross, M.E.
登録日2019-04-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020
6VLW
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BU of 6vlw by Molmil
Crystal Structure of 426cOD in Complex with VRC01 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 426cOD, ...
著者Weidle, C, Pancera, M.
登録日2020-01-27
公開日2020-12-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献HIV-1 VRC01 Germline-Targeting Immunogens Select Distinct Epitope-Specific B Cell Receptors.
Immunity, 53, 2020
7OB1
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BU of 7ob1 by Molmil
OLIGOPEPTIDASE B FROM S. PROTEOMACULANS WITH MODIFIED HINGE
分子名称: Oligopeptidase B, SPERMINE
著者Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Korzhenevskiy, D.A, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I.
登録日2021-04-20
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine.
Biology (Basel), 10, 2021
1GMY
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BU of 1gmy by Molmil
Cathepsin B complexed with dipeptidyl nitrile inhibitor
分子名称: 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ...
著者Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K.
登録日2001-09-25
公開日2002-09-19
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design
J.Med.Chem., 44, 2001
6Z3H
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BU of 6z3h by Molmil
Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) (crystal form 2)
分子名称: Growth/differentiation factor 5, RGM domain family member B
著者Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C.
登録日2020-05-20
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.158 Å)
主引用文献Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
7S7K
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BU of 7s7k by Molmil
Crystal structure of the EphB2 extracellular domain
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, Ephrin type-B receptor 2, ...
著者Xu, Y, Xu, K, Nikolov, D.B.
登録日2021-09-16
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献The Ephb2 Receptor Uses Homotypic, Head-to-Tail Interactions within Its Ectodomain as an Autoinhibitory Control Mechanism.
Int J Mol Sci, 22, 2021
6FYW
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BU of 6fyw by Molmil
Structure of B/Brisbane/60/2008 Influenza Hemagglutinin in complex with SD83
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, GLYCEROL, ...
著者Laursen, N.S, Wilson, I.A.
登録日2018-03-12
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
8U44
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CryoEM structure of A/Solomon Islands/3/2006 H1 HA in complex with 05.GC.w2.3C10-H1_SI06
分子名称: 05.GC.w2.3C10-H1_SI06 Heavy chain, 05.GC.w2.3C10-H1_SI06 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Moore, N, Han, J, Ward, A.B, Wilson, I.A.
登録日2023-09-08
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Persistence of germinal center B cell responses after influenza virus vaccination in humans
To Be Published
9AXG
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BU of 9axg by Molmil
Human saposin B in the presence of globotriaosylceramide-NBD
分子名称: MALONATE ION, Saposin-B
著者Sawyer, T.K, Garman, S.C.
登録日2024-03-06
公開日2024-03-13
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Human Saposin B Ligand Binding and Presentation to alpha-Galactosidase A.
Biorxiv, 2024
8BDR
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BU of 8bdr by Molmil
Early transcription elongation state of influenza B/Mem polymerase backtracked due to double incoproation of nucleotide analogue T1106 and with singly incoporated T1106 at the U +1 position
分子名称: 3' vRNA, 5' vRNA, MAGNESIUM ION, ...
著者Cusack, S, Kouba, T.
登録日2022-10-19
公開日2022-12-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
6WY5
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CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
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, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
著者Khan, J.A.
登録日2020-05-12
公開日2020-10-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.898 Å)
主引用文献Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
7YC5
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BU of 7yc5 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with K202.B bispecific antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain from K202.B, bispecific antibody, ...
著者Yoo, Y, Cho, H.S.
登録日2022-06-30
公開日2023-07-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Novel bispecific human antibody platform specifically targeting a fully open spike conformation potently neutralizes multiple SARS-CoV-2 variants.
Antiviral Res., 212, 2023
1F69
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BU of 1f69 by Molmil
CRYSTAL STRUCTURE OF THE B-DNA HEXAMER GGCGCC WITH COBALT HEXAMINE
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*GP*CP*C)-3'), MAGNESIUM ION
著者Vargason, J.M, Eichman, B.F, Ho, P.S.
登録日2000-06-20
公開日2000-08-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The extended and eccentric E-DNA structure induced by cytosine methylation or bromination.
Nat.Struct.Biol., 7, 2000
1F82
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BOTULINUM NEUROTOXIN TYPE B CATALYTIC DOMAIN
分子名称: BOTULINUM NEUROTOXIN TYPE B, ZINC ION
著者Hanson, M.A, Stevens, R.C.
登録日2000-06-28
公開日2000-08-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cocrystal structure of synaptobrevin-II bound to botulinum neurotoxin type B at 2.0 A resolution.
Nat.Struct.Biol., 7, 2000

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