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5UEW
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BU of 5uew by Molmil
BRD2 Bromodomain2 with A-1360579
Descriptor: Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEY
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BU of 5uey by Molmil
BRD4_BD2_A-1412838
Descriptor: 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEX
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BU of 5uex by Molmil
BRD4_BD2_A-1497627
Descriptor: 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEU
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BU of 5ueu by Molmil
BRD4_BD2_A-1107604
Descriptor: Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UF0
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BU of 5uf0 by Molmil
BRD4_BD2-A-35165
Descriptor: 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEZ
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BU of 5uez by Molmil
BRD4_BD2_A-1342843
Descriptor: 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5WQT
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BU of 5wqt by Molmil
Structure of a protein involved in pyroptosis
Descriptor: CITRIC ACID, GLYCEROL, Gasdermin-D
Authors:Kuang, S, Li, J.
Deposit date:2016-11-28
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure insight of GSDMD reveals the basis of GSDMD autoinhibition in cell pyroptosis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4KSA
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BU of 4ksa by Molmil
Crystal Structure of Malonyl-CoA decarboxylase from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR127
Descriptor: MAGNESIUM ION, Malonyl-CoA decarboxylase
Authors:Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-05-17
Release date:2013-06-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations.
Structure, 21, 2013
7XDY
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BU of 7xdy by Molmil
Crystal structure of a receptor like kinase from Arabidopsis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Receptor-like protein kinase FERONIA
Authors:Kong, Y.Q, Ming, Z.H.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation.
Plant Commun., 4, 2023
7XDW
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BU of 7xdw by Molmil
Crystal structure of a receptor like kinase from Arabidopsis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Receptor-like protein kinase FERONIA
Authors:Kong, Y.Q, Ming, Z.H.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation.
Plant Commun., 4, 2023
7XDV
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BU of 7xdv by Molmil
Crystal structure of a receptor like kinase from Arabidopsis
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Receptor-like protein kinase FERONIA
Authors:Kong, Y.Q, Ming, Z.H.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation.
Plant Commun., 4, 2023
7XDX
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BU of 7xdx by Molmil
Crystal structure of a receptor like kinase from Arabidopsis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Receptor-like protein kinase FERONIA
Authors:Kong, Y.Q, Ming, Z.H.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural and biochemical basis of Arabidopsis FERONIA receptor kinase-mediated early signaling initiation.
Plant Commun., 4, 2023
7E39
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BU of 7e39 by Molmil
SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3B
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BU of 7e3b by Molmil
SARS-Cov-2 spike in complex with the Ab5 neutralizing antibody (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab5, Light Chain of Ab5, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3C
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BU of 7e3c by Molmil
SARS-CoV-2 spike in complex with the Ab1 neutralizing antibody (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Ab1, Light chain of Ab1, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7DV4
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BU of 7dv4 by Molmil
Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4
Descriptor: 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4
Authors:Li, H, Gan, X, He, Y.
Deposit date:2021-01-12
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DVM
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BU of 7dvm by Molmil
DgkA structure in E.coli lipid bilayer
Descriptor: Diacylglycerol kinase
Authors:Li, J, Yang, J.
Deposit date:2021-01-13
Release date:2022-04-13
Last modified:2023-09-27
Method:SOLID-STATE NMR
Cite:Structure of membrane diacylglycerol kinase in lipid bilayers.
Commun Biol, 4, 2021
5WYB
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BU of 5wyb by Molmil
Structure of Pseudomonas aeruginosa DspI
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, Probable enoyl-CoA hydratase/isomerase
Authors:Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R.
Deposit date:2017-01-12
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis.
Sci Rep, 8, 2018
5WYD
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BU of 5wyd by Molmil
Structural of Pseudomonas aeruginosa DspI
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, ...
Authors:Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R.
Deposit date:2017-01-12
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis.
Sci Rep, 8, 2018
7CO5
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BU of 7co5 by Molmil
HtrA-type protease AlgW with decapeptide
Descriptor: AlgW protein, IMIDAZOLE, decapeptide SVRDELRWVF
Authors:Li, T, Song, Y.J, Bao, R.
Deposit date:2020-08-03
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CO3
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BU of 7co3 by Molmil
HtrA-type protease AlgWS227A with tripeptide
Descriptor: AlgW protein, TRP-VAL-PHE
Authors:Li, T, Song, Y.J, Bao, R.
Deposit date:2020-08-03
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CO2
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BU of 7co2 by Molmil
HtrA-type protease AlgW with tripeptide
Descriptor: AlgW protein, IMIDAZOLE, TRP-VAL-PHE
Authors:Li, T, Song, Y.J, Bao, R.
Deposit date:2020-08-03
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CO7
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BU of 7co7 by Molmil
HtrA-type protease AlgWS227A with decapeptide
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, AlgW protein, decapeptide SVRDELRWVF
Authors:Li, T, Song, Y.J, Bao, R.
Deposit date:2020-08-04
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa.
Mbio, 12, 2021
7CZP
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BU of 7czp by Molmil
S protein of SARS-CoV-2 in complex bound with P2B-1A1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c181_light_IGLV2-14_IGLJ3,IGL@ protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZQ
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BU of 7czq by Molmil
S protein of SARS-CoV-2 in complex bound with P2B-1A10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,Chain H of P2B-1A10,Immunoglobulin gamma-1 heavy chain, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021

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