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7E1R
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BU of 7e1r by Molmil
Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP
Descriptor: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-03
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1S
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BU of 7e1s by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP
Descriptor: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-03
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
2F5K
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BU of 2f5k by Molmil
Crystal structure of the chromo domain of human MRG15
Descriptor: Mortality factor 4-like protein 1
Authors:Zhang, P, Du, J, Ding, J.
Deposit date:2005-11-26
Release date:2006-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human MRG15 chromo domain and its binding to Lys36-methylated histone H3.
Nucleic Acids Res., 34, 2006
7R7N
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BU of 7r7n by Molmil
SARS-CoV-2 spike in complex with the S2D106 neutralizing antibody Fab fragment (local refinement of the RBD and S2D106)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2D106 FAB heavy chain, S2D106 FAB light chain, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-25
Release date:2021-07-21
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7RA8
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BU of 7ra8 by Molmil
SARS-CoV-2 S glycoprotein in complex with S2X259 Fab
Descriptor: 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 Fab S2X259 Fab variable domain, ...
Authors:Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-30
Release date:2021-08-04
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
7RAL
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BU of 7ral by Molmil
SARS-CoV-2 S bound to S2X259 Fab (local refinement of the RBD/S2X259 variable domains)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X259 Fab heavy chain, S2X259 Fab light chain, ...
Authors:Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-07-01
Release date:2021-08-04
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY
Cite:Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
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
4NZZ
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BU of 4nzz by Molmil
Crystal structure of epoxide hydrolase from bacillus megaterium
Descriptor: Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-12-13
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
6WE8
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BU of 6we8 by Molmil
YTH domain of human YTHDC1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-04-01
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
6WE9
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BU of 6we9 by Molmil
YTH domain of human YTHDC1 with 11mer ssDNA Containing N6mA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*GP*(6MA)P*CP*TP*CP*TP*G)-3'), GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-04-01
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
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
7BQJ
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BU of 7bqj by Molmil
The structure of PdxI
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Methyltransf_2 domain-containing protein, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQO
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BU of 7bqo by Molmil
The structure of HpiI in complex with its substrate analogue
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-25
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQP
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BU of 7bqp by Molmil
The structure of HpiI
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-25
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7JWB
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BU of 7jwb by Molmil
SARS CoV2 Spike ectodomain with engineered trimerized VH binder
Descriptor: Spike glycoprotein, autonomous human heavy chain variable domain
Authors:QCRG Structural Biology Consortium
Deposit date:2020-08-25
Release date:2020-10-07
Last modified:2020-12-30
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Bi-paratopic and multivalent VH domains block ACE2 binding and neutralize SARS-CoV-2.
Nat.Chem.Biol., 17, 2021
7BQK
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BU of 7bqk by Molmil
The structure of PdxI in complex with its substrate analogue
Descriptor: 1,2-ETHANEDIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQL
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BU of 7bql by Molmil
The crystal structure of PdxI complex with the Alder-ene adduct
Descriptor: 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one, DI(HYDROXYETHYL)ETHER, Methyltransf_2 domain-containing protein
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
6E5P
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BU of 6e5p by Molmil
Backbone model based on cryo-EM map at 8.5 A of domain-swapped, glycan-reactive, neutralizing antibody 2G12 bound to HIV-1 Env BG505 DS-SOSIP, which was also bound to CD4-binding site antibody VRC03
Descriptor: 2G12 Light chain, 2G12 heavy chain, Envelope glycoprotein gp120, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2018-07-21
Release date:2019-02-13
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Structural Survey of Broadly Neutralizing Antibodies Targeting the HIV-1 Env Trimer Delineates Epitope Categories and Characteristics of Recognition.
Structure, 27, 2019
4JNA
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BU of 4jna by Molmil
Crystal structure of the DepH complex with dimethyl-FK228
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DepH, ...
Authors:Li, J, Wang, C, Zhang, Z.M, Zhou, J.H, Cheng, E.
Deposit date:2013-03-14
Release date:2014-03-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis of an NADP+-independent dithiol oxidase in FK228 biosynthesis.
Sci Rep, 4, 2014
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
3OPW
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BU of 3opw by Molmil
Crystal Structure of the Rph1 catalytic core
Descriptor: DNA damage-responsive transcriptional repressor RPH1
Authors:Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J.
Deposit date:2010-09-02
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
3OPT
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BU of 3opt by Molmil
Crystal structure of the Rph1 catalytic core with a-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, DNA damage-responsive transcriptional repressor RPH1, NICKEL (II) ION
Authors:Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J.
Deposit date:2010-09-02
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
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
4N4F
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BU of 4n4f by Molmil
Crystal Structure of the Bromodomain-PHD Finger Module of Human Transcriptional Co-Activator CBP in complex with di-Acetylated Histone 4 Peptide (H412acK16ac).
Descriptor: CREB-binding protein, Histone 4 Peptide, ZINC ION
Authors:Plotnikov, A.N, Zhou, J, Zhou, M.-M.
Deposit date:2013-10-08
Release date:2014-02-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Insights into Acetylated-Histone H4 Recognition by the Bromodomain-PHD Finger Module of Human Transcriptional Coactivator CBP.
Structure, 22, 2014

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