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7CA4
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BU of 7ca4 by Molmil
The Crystal Structure of human Bcl-2-like protein 1 from Biortus
Descriptor: Bcl-2-like protein 1, SULFATE ION
Authors:Wang, F, Lv, Z, Lin, D, Huang, Y.
Deposit date:2020-06-08
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of human Bcl-2-like protein 1 from Biortus.
To Be Published
7CQ1
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BU of 7cq1 by Molmil
Solution structure of the C-terminal domain of Mycobacterium Tuberculosis ribosome maturation factor protein RimM
Descriptor: Ribosome maturation factor RimM
Authors:Zhang, H, Lin, D.
Deposit date:2020-08-08
Release date:2021-03-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for the C-Terminal Domain of Mycobacterium tuberculosis Ribosome Maturation Factor RimM to Bind Ribosomal Protein S19.
Biomolecules, 11, 2021
7D4A
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BU of 7d4a by Molmil
The Crystal Structure of human JMJD2A Tudor domain from Biortus
Descriptor: Lysine-specific demethylase 4A, SULFATE ION
Authors:Wang, F, Lv, Z, Cheng, W, Lin, D, Ju, C, Bao, X, Zhu, B.
Deposit date:2020-09-23
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:The Crystal Structure of human JMJD2A from Biortus.
To Be Published
7DSF
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BU of 7dsf by Molmil
The Crystal Structure of human SPR from Biortus.
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ...
Authors:Wang, F, Lv, Z, Cheng, W, Lin, D, Meng, Q, Zhang, B, Huang, Y.
Deposit date:2020-12-31
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of human SPR from Biortus.
To Be Published
7DS7
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BU of 7ds7 by Molmil
The Crystal Structure of Leaf-branch compost cutinase from Biortus.
Descriptor: CITRIC ACID, GLYCEROL, IMIDAZOLE, ...
Authors:Wang, F, Lv, Z, Cheng, W, Lin, D, Chu, F, Xu, X, Tan, J.
Deposit date:2020-12-30
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Crystal Structure of Leaf-branch compost cutinase from Biortus.
To Be Published
7D2C
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BU of 7d2c by Molmil
The Crystal Structure of human PARP14 from Biortus.
Descriptor: CHLORIDE ION, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP14
Authors:Wang, F, Miao, Q, Lv, Z, Cheng, W, Lin, D, Xu, X, Tan, J.
Deposit date:2020-09-16
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The Crystal Structure of human PARP14 from Biortus.
To Be Published
7E9V
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BU of 7e9v by Molmil
The Crystal Structure of human UMP-CMP kinase from Biortus.
Descriptor: SULFATE ION, UMP-CMP kinase
Authors:Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M.
Deposit date:2021-03-05
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of human UMP-CMP kinase from Biortus.
To Be Published
7EDK
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BU of 7edk by Molmil
NMR solution structure of Bt14.12, a novel A-family conotoxin from Conus betulinus
Descriptor: Conotoxin Bt14.16
Authors:Zhang, H, Lin, D, Guo, C.
Deposit date:2021-03-16
Release date:2021-03-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of peptide Bt14.12
To Be Published
7FHQ
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BU of 7fhq by Molmil
Solution structure of the pathogenic mutant G131V of Human prion protein (91-231)
Descriptor: Major prion protein
Authors:Zhang, H, Lin, D.
Deposit date:2021-07-29
Release date:2022-07-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the pathogenic mutant G131V of Human prion protein
To Be Published
5N5O
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BU of 5n5o by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5NH0
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BU of 5nh0 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
Authors:Ma, Q, Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-15
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5N19
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BU of 5n19 by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
Authors:Zhang, L, Ma, Q, Hilgenfeld, R.
Deposit date:2017-02-05
Release date:2018-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
6NAO
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BU of 6nao by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
Authors:Hall, J.
Deposit date:2018-12-06
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
5V8O
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BU of 5v8o by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION
Authors:Hall, J.
Deposit date:2017-03-22
Release date:2017-09-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
6VBK
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BU of 6vbk by Molmil
Crystal structure of N-terminal domain of Mycobacterium tuberculosis complex Lon protease
Descriptor: GLYCEROL, Lon211
Authors:Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
6DBK
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BU of 6dbk by Molmil
Tyk2 with compound 8
Descriptor: 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBM
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BU of 6dbm by Molmil
Tyk2 with compound 23
Descriptor: Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBN
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BU of 6dbn by Molmil
Jak1 with compound 23
Descriptor: Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
8CX3
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BU of 8cx3 by Molmil
Crystal structure of full-length mesothelin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhan, J, Esser, L, Xia, D.
Deposit date:2022-05-19
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.609 Å)
Cite:Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies.
Cancer Res Commun, 3, 2023
1RYQ
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BU of 1ryq by Molmil
Putative DNA-directed RNA polymerase, subunit e'' from Pyrococcus Furiosus Pfu-263306-001
Descriptor: DNA-directed RNA polymerase, subunit e'', ZINC ION
Authors:Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Arendall III, W.B, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-12-22
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Parameter-space screening: a powerful tool for high-throughput crystal structure determination.
Acta Crystallogr.,Sect.D, 61, 2005
6IHG
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BU of 6ihg by Molmil
N terminal domain of Mycobacterium avium complex Lon protease
Descriptor: Lon protease
Authors:Chen, X.Y, Zhang, S.J, Bi, F.K, Guo, C.Y, Yao, H.W, Lin, D.H.
Deposit date:2018-09-29
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
1XHO
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BU of 1xho by Molmil
Chorismate mutase from Clostridium thermocellum Cth-682
Descriptor: Chorismate mutase, UNKNOWN ATOM OR ION
Authors:Xu, H, Chen, L, Lee, D, Habel, J.E, Nguyen, J, Chang, S.-H, Kataeva, I, Chang, J, Zhao, M, Yang, H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-20
Release date:2004-11-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Away from the edge II: in-house Se-SAS phasing with chromium radiation.
Acta Crystallogr.,Sect.D, 61, 2005
6Y2E
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BU of 6y2e by Molmil
Crystal structure of the free enzyme of the SARS-CoV-2 (2019-nCoV) main protease
Descriptor: 3C-like proteinase
Authors:Zhang, L, Sun, X, Hilgenfeld, R.
Deposit date:2020-02-15
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
1JJR
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BU of 1jjr by Molmil
The Three-Dimensional Structure of the C-terminal DNA Binding Domain of Human Ku70
Descriptor: THYROID AUTOANTIGEN
Authors:Zhang, Z, Chen, Y.
Deposit date:2001-07-09
Release date:2001-10-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The three-dimensional structure of the C-terminal DNA-binding domain of human Ku70.
J.Biol.Chem., 276, 2001

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