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9BJA
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BU of 9bja by Molmil
C. difficile Tcdb cysteine protease domain in complex with IP6
分子名称: INOSITOL HEXAKISPHOSPHATE, Toxin B
著者Veyron, S, Cummer, R.
登録日2024-04-25
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-activity relationship of inositol thiophosphate analogs as allosteric activators of Clostridioides difficile Toxin B
Chemrxiv, 2024
5E5V
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BU of 5e5v by Molmil
Structure of amyloid forming peptide NFGAILS (residues 22-28) from Islet Amyloid Polypeptide
分子名称: NFGAILS (22-28) from islet amyloid polypeptide, synthesized
著者Soriaga, A.B, Macdonald, R, Sawaya, M.R, Sangwan, S, Eisenberg, D.
登録日2015-10-09
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal Structures of IAPP Amyloidogenic Segments Reveal a Novel Packing Motif of Out-of-Register Beta Sheets.
J.Phys.Chem.B, 120, 2016
8CAI
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BU of 8cai by Molmil
Streptomycin and Hygromycin B bound to the 30S body
分子名称: 16S rRNA, 30S ribosomal protein S16, 30S ribosomal protein S2, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-01-24
公開日2023-07-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.08 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8YMJ
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BU of 8ymj by Molmil
Cryo-EM structure of Hepatitis B virus surface antigen subviral particle with D2 symmetry
分子名称: Isoform S of Large envelope protein
著者Wang, T, Cao, L, Mu, A, Wang, Q, Rao, Z.H.
登録日2024-03-09
公開日2024-09-18
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Inherent symmetry and flexibility in hepatitis B virus subviral particles.
Science, 385, 2024
5IDL
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BU of 5idl by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8
著者Julien, J.P, Ereno-Orbea, J, Jardine, J.G, Schief, W.R, Wilson, I.A.
登録日2016-02-24
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
5IES
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BU of 5ies by Molmil
Crystal structure of VRC01c-HuGL2 Fab from an HIV-1 naive donor in complex with with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.16 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, ...
著者Sarkar, A, Wilson, I.A.
登録日2016-02-25
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
5BV6
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BU of 5bv6 by Molmil
PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with cGMP
分子名称: ACETATE ION, CALCIUM ION, GUANOSINE-3',5'-MONOPHOSPHATE, ...
著者Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W.
登録日2015-06-04
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.
J.Biol.Chem., 291, 2016
8FD2
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BU of 8fd2 by Molmil
Cryo-EM structure of Cascade complex in type I-B CAST system
分子名称: A Type I-B CRISPR-associated protein Cas5, RNA, Type I-B CRISPR-associated protein Cas11, ...
著者Chang, L, Wang, S.
登録日2022-12-01
公開日2023-08-09
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
4M2W
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BU of 4m2w by Molmil
Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, McKenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.658 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
6KYC
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BU of 6kyc by Molmil
Structure of the S207A mutant of Clostridium difficile sortase B
分子名称: Putative peptidase C60B, sortase B
著者Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y.
登録日2019-09-17
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
7OR9
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BU of 7or9 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and COVOX-278 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-06-04
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
7ORA
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BU of 7ora by Molmil
Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-253 Fab heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-06-04
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
3KKV
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BU of 3kkv by Molmil
Structure of PKA with a protein Kinase B-selective inhibitor.
分子名称: (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha
著者Elkins, P.A, Concha, N.O.
登録日2009-11-06
公開日2010-12-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of PKA with a protein Kinase B-selective inhibitor.
To be Published
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
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.
Plos Biol., 22, 2024
6OL5
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BU of 6ol5 by Molmil
Structure of iglb12 Fab in complex with anti-idiotype ib3 Fab
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, AMMONIUM ION, CHLORIDE ION, ...
著者Weidle, C, Pancera, M.
登録日2019-04-15
公開日2019-07-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Detection and activation of HIV broadly neutralizing antibody precursor B cells using anti-idiotypes.
J.Exp.Med., 216, 2019
2MVG
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BU of 2mvg by Molmil
Solution structure of decorin binding protein B from Borrelia burgdorferi
分子名称: Decorin-binding protein B
著者Wang, X, Feng, W.
登録日2014-10-03
公開日2015-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of decorin binding protein B from Borrelia burgdorferi and its interactions with glycosaminoglycans.
Biochim.Biophys.Acta, 1854, 2015
6YXL
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BU of 6yxl by Molmil
Crystal structure of ACPA F3
分子名称: ACPA F3 Fab fragment - heavy chain, ACPA F3 Fab fragment - light chain, GLYCEROL, ...
著者Ge, C, Holmdahl, R.
登録日2020-05-03
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation.
Sci Adv, 8, 2022
3OE6
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BU of 3oe6 by Molmil
Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ...
著者Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2010-08-12
公開日2010-10-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
7FYF
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BU of 7fyf by Molmil
Crystal Structure of human FABP4 in complex with 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
分子名称: (3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine, 1,2-ETHANEDIOL, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FX6
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BU of 7fx6 by Molmil
Crystal Structure of human FABP4 in complex with N,N-diethyl-4-pyridin-4-yl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine
分子名称: (3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FX8
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BU of 7fx8 by Molmil
Crystal Structure of human FABP4 in complex with 4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
分子名称: (3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
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
7FXH
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BU of 7fxh by Molmil
Crystal Structure of human FABP4 in complex with 2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
分子名称: (3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWY
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BU of 7fwy by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]acetic acid
分子名称: Fatty acid-binding protein, adipocyte, SULFATE ION, ...
著者Ehler, A, Benz, J, Obst, U, Boehringer, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FXN
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BU of 7fxn by Molmil
Crystal Structure of human FABP4 in complex with 2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
分子名称: (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published

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件を2024-10-16に公開中

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