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6SLQ
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BU of 6slq by Molmil
Structure of the native full-length HIV-1 capsid protein A92E in helical assembly (-12,11)
Descriptor: Gag protein
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6SLU
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BU of 6slu by Molmil
Structure of the native full-length HIV-1 capsid protein A92E in helical assembly (-13,11)
Descriptor: Gag protein
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6SMU
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BU of 6smu by Molmil
Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,12)
Descriptor: Gag protein
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2019-08-22
Release date:2020-09-09
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
7MU5
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BU of 7mu5 by Molmil
Human DCTPP1 bound to Triptolide
Descriptor: MAGNESIUM ION, dCTP pyrophosphatase 1, triptolide
Authors:Hauk, G, Berger, J.M.
Deposit date:2021-05-14
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Triptolide sensitizes cancer cells to nucleoside DNA methyltransferase inhibitors through inhibition of DCTPP1 mediated cell-intrinsic resistance
To Be Published
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
1Y4K
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BU of 1y4k by Molmil
Lipoxygenase-1 (Soybean) at 100K, N694G Mutant
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, FE (II) ION, ...
Authors:Chruszcz, M, Segraves, E, Holman, T.R, Minor, W.
Deposit date:2004-12-01
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Kinetic, spectroscopic, and structural investigations of the soybean lipoxygenase-1 first-coordination sphere mutant, Asn694Gly.
Biochemistry, 45, 2006
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
8YSA
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BU of 8ysa by Molmil
The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102
Descriptor: 3C-like proteinase nsp5, BOC-TBG-PHE-ELL
Authors:Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X.
Deposit date:2024-03-22
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease
To Be Published
6RJK
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BU of 6rjk by Molmil
Structure of virulence factor SghA from Agrobacterium tumefaciens
Descriptor: Beta-glucosidase
Authors:Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
Deposit date:2019-04-27
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RK2
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BU of 6rk2 by Molmil
Complex structure of virulence factor SghA mutant with its substrate SAG
Descriptor: 2-(alpha-L-altropyranosyloxy)benzoic acid, Beta-glucosidase
Authors:Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
Deposit date:2019-04-30
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RJM
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BU of 6rjm by Molmil
Complex structure of virulence factor SghA and its hydrolysis product glucose
Descriptor: Beta-glucosidase, alpha-D-glucopyranose
Authors:Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
Deposit date:2019-04-27
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RJO
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BU of 6rjo by Molmil
Complex structure of virulence factor SghA with its substrate analog salicin
Descriptor: 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, Beta-glucosidase
Authors:Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
Deposit date:2019-04-28
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
5HSO
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BU of 5hso by Molmil
Crystal structure of MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN Rv2887 complex with DNA
Descriptor: DNA (30-MER), the upstream sequence of Rv0560c, Uncharacterized HTH-type transcriptional regulator Rv2887
Authors:Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
Deposit date:2016-01-26
Release date:2017-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
5HSM
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BU of 5hsm by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887
Descriptor: SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887
Authors:Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
Deposit date:2016-01-26
Release date:2017-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
3K5J
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BU of 3k5j by Molmil
Crystal structure of Putative SUFU (suppressor of fused protein) homolog (YP_208451.1) from Neisseria gonorrhoeae FA 1090 at 1.40 A resolution
Descriptor: GLYCEROL, SULFATE ION, Suppressor of fused family protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-07
Release date:2010-01-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structure of a bacterial Sufu-like protein defines a novel group of bacterial proteins that are similar to the N-terminal domain of human Sufu.
Protein Sci., 19, 2010
3KK7
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BU of 3kk7 by Molmil
Crystal structure of Putative cell invasion protein with MAC/Perforin domain (NP_812351.1) from BACTERIODES THETAIOTAOMICRON VPI-5482 at 2.46 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-04
Release date:2009-11-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structure of a membrane-attack complex/perforin (MACPF) family protein from the human gut symbiont Bacteroides thetaiotaomicron.
Acta Crystallogr.,Sect.F, 66, 2010
2ONO
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BU of 2ono by Molmil
Arg475Gln Mutant of Mitochondrial Aldehyde Dehydrogenase, apo form, pseudo-merohedrally twinned
Descriptor: Aldehyde dehydrogenase
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2ONM
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BU of 2onm by Molmil
Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ...
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2ONN
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BU of 2onn by Molmil
Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, Apo form
Descriptor: Aldehyde dehydrogenase
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2ONP
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BU of 2onp by Molmil
Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ...
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
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
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
4JVE
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BU of 4jve by Molmil
Co-crystal structure of MDM2 with inhibitor (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
Descriptor: (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid, E3 ubiquitin-protein ligase Mdm2
Authors:Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JV9
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BU of 4jv9 by Molmil
Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
Descriptor: (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
7M7W
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BU of 7m7w by Molmil
Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ...
Authors:Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-03-29
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021

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數據於2024-06-26公開中

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