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7CBB
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BU of 7cbb by Molmil
Crystal structure of SbnC in the biosynthesis of staphyloferrin B
Descriptor: ADENOSINE MONOPHOSPHATE, IucA/IucC family siderophore biosynthesis protein
Authors:Tang, J, Ju, Y, Zhou, H.
Deposit date:2020-06-11
Release date:2020-09-23
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Characterization of SbnC as a Representative Type B Siderophore Synthetase.
Acs Chem.Biol., 15, 2020
7YV8
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BU of 7yv8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-18
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YVU
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BU of 7yvu by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-19
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
4ISH
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BU of 4ish by Molmil
Structure of FACTOR VIIA in complex with the inhibitor BMS-593214 also known as 2'-[(6R,6AR,11BR)-2-CARBAMIMIDOYL-6,6A,7,11B-TETRAHYDRO-5H-INDENO[2,1-C]QUINOLIN-6-YL]-5'-HYDROXY-4'-METHOXYBIPHENYL-4-CARBOXYLIC ACID
Descriptor: 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A.
Deposit date:2013-01-16
Release date:2013-03-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
2QP9
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BU of 2qp9 by Molmil
Crystal Structure of S.cerevisiae Vps4
Descriptor: CADMIUM ION, SULFATE ION, Vacuolar protein sorting-associated protein 4
Authors:Xiao, J, Xu, Z.
Deposit date:2007-07-23
Release date:2007-10-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural characterization of the ATPase reaction cycle of endosomal AAA protein Vps4.
J.Mol.Biol., 374, 2007
3GF8
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BU of 3gf8 by Molmil
Crystal structure of putative polysaccharide binding proteins (DUF1812) (NP_809975.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, putative polysaccharide binding proteins (DUF1812)
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-02-26
Release date:2009-03-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A conserved fold for fimbrial components revealed by the crystal structure of a putative fimbrial assembly protein (BT1062) from Bacteroides thetaiotaomicron at 2.2 A resolution
Acta Crystallogr.,Sect.F, 66, 2010
6VPY
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BU of 6vpy by Molmil
I33M (I3.2 mutant from CH103 Lineage)
Descriptor: CHLORIDE ION, GLYCEROL, I33M heavy chain, ...
Authors:Fera, D, Zhou, J.
Deposit date:2020-02-04
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The Effects of Framework Mutations at the Variable Domain Interface on Antibody Affinity Maturation in an HIV-1 Broadly Neutralizing Antibody Lineage.
Front Immunol, 11, 2020
6JBT
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BU of 6jbt by Molmil
Complex structure of toripalimab-Fab and PD-1
Descriptor: 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, Heavy chain, ...
Authors:Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J.
Deposit date:2019-01-26
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy.
Mabs, 11, 2019
4ENF
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BU of 4enf by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Puerto Rico/8/34(h1n1)
Descriptor: 1,4-BUTANEDIOL, NITRATE ION, Polymerase basic protein 2
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-13
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013
4EQK
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BU of 4eqk by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Hong Kong/1/68 (h3n2) with bound m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, NITRATE ION, Polymerase basic protein 2
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-19
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013
4ES5
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BU of 4es5 by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Bar-headed Gs/Qinghai/15c/2005 (h5n1) with bound m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Polymerase basic subunit 2, SULFATE ION
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-22
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013
8S9G
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BU of 8s9g by Molmil
SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-03-28
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
6M1K
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BU of 6m1k by Molmil
USP7 in complex with a novel inhibitor
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
Authors:Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A.
Deposit date:2020-02-26
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
7F46
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BU of 7f46 by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-06-17
Release date:2022-03-23
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (4.79 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7K43
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BU of 7k43 by Molmil
SARS-CoV-2 spike in complex with the S2M11 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2M11 Fab fragment (heavy chain), ...
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-14
Release date:2020-10-07
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7K45
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BU of 7k45 by Molmil
SARS-CoV-2 spike in complex with the S2E12 neutralizing antibody Fab fragment (local refinement of the RBD and Fab variable domains)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2E12 neutralizing antibody Fab fragment (heavy chain), S2E12 neutralizing antibody Fab fragment (light chain), ...
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-14
Release date:2020-10-07
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7K3Q
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BU of 7k3q by Molmil
An ultra-potent human neutralizing antibody locks the SARS-CoV-2 spike in the closed conformation
Descriptor: 1,2-ETHANEDIOL, Fab fragment of S2E12 monoclonal antibody, heavy chain, ...
Authors:Snell, G, Czudnochowski, N, Ng, C.
Deposit date:2020-09-12
Release date:2020-10-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7K4N
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BU of 7k4n by Molmil
SARS-CoV-2 spike in complex with the S2E12 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2E12 neutralizing antibody Fab fragment (heavy chain), ...
Authors:Tortorici, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-15
Release date:2020-10-07
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
Authors:Yan, M, Zhang, H.
Deposit date:2022-11-08
Release date:2023-04-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
4OAS
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BU of 4oas by Molmil
co-crystal structure of MDM2 (17-111) in complex with compound 25
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2014-01-06
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57, 2014
6LID
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BU of 6lid by Molmil
Heteromeric amino acid transporter b0,+AT-rBAT complex
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q.
Deposit date:2019-12-10
Release date:2020-04-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT.
Sci Adv, 6, 2020
6LI9
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BU of 6li9 by Molmil
Heteromeric amino acid transporter b0,+AT-rBAT complex bound with Arginine
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, ...
Authors:Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q.
Deposit date:2019-12-10
Release date:2020-04-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT.
Sci Adv, 6, 2020
8VXY
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BU of 8vxy by Molmil
Structure of HamA(E138A,K140A)B-plasmid DNA complex from the Escherichia coli Hachiman defense system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, HamA, HamB, ...
Authors:Tuck, O.T, Hu, J.J, Doudna, J.A.
Deposit date:2024-02-06
Release date:2024-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Hachiman is a genome integrity sensor.
Biorxiv, 2024
8VXC
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BU of 8vxc by Molmil
Structure of HamB-DNA complex, conformation 2, from the Escherichia coli Hachiman defense system
Descriptor: DNA (40-MER), HamB
Authors:Tuck, O.T, Doudna, J.A.
Deposit date:2024-02-04
Release date:2024-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Hachiman is a genome integrity sensor.
Biorxiv, 2024
8VX9
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BU of 8vx9 by Molmil
Structure of HamAB apo complex from the Escherichia coli Hachiman defense system
Descriptor: HamA, HamB
Authors:Tuck, O.T, Doudna, J.A.
Deposit date:2024-02-03
Release date:2024-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Hachiman is a genome integrity sensor.
Biorxiv, 2024

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數據於2024-06-05公開中

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