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6WUQ
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BU of 6wuq by Molmil
Crystal structure of AjiA1 in apo form
Descriptor: AjiA1, MAGNESIUM ION, ZINC ION
Authors:Paiva, F.C.R, Chan, K, Leadlay, P, Dias, M.V.B.
Deposit date:2020-05-05
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:The crystal structure of AjiA1 reveals a novel structural motion mechanism in the adenylate-forming enzyme family
Acta Crystallogr.,Sect.D, 76, 2020
2MBL
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BU of 2mbl by Molmil
Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
Descriptor: Top7 Fold Protein Top7m13
Authors:Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-08-02
Release date:2013-11-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
To be Published
2MBM
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BU of 2mbm by Molmil
Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
Descriptor: Top7 Fold Protein Top7m13
Authors:Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-08-02
Release date:2013-11-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
To be Published
2N4E
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BU of 2n4e by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
Descriptor: OR34
Authors:Liu, G, Chan, K, Basanta, B, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-17
Release date:2015-12-09
Method:SOLUTION NMR
Cite:Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
To be Published
2N41
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BU of 2n41 by Molmil
Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
Descriptor: OR34
Authors:Liu, G, Chan, K, Basanta, B, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-16
Release date:2016-03-02
Method:SOLUTION NMR
Cite:Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
To be Published
6NHJ
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BU of 6nhj by Molmil
Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development
Descriptor: Major capsid protein, Minor capsid protein, Small capsomere-interacting protein, ...
Authors:Liu, W, Dai, X.H, Jih, J, Chan, K, Trang, P, Yu, X.K, Balogun, R, Mei, Y, Liu, F.Y, Zhou, Z.H.
Deposit date:2018-12-22
Release date:2019-03-06
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Atomic structures and deletion mutant reveal different capsid-binding patterns and functional significance of tegument protein pp150 in murine and human cytomegaloviruses with implications for therapeutic development.
PLoS Pathog., 15, 2019
4UX3
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BU of 4ux3 by Molmil
cohesin Smc3-HD:Scc1-N complex from yeast
Descriptor: MAGNESIUM ION, MITOTIC CHROMOSOME DETERMINANT-RELATED PROTEIN, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gligoris, T.G, Nasmyth, K, Lowe, J.
Deposit date:2014-08-18
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Closing the Cohesin Ring: Structure and Function of its Smc3-Kleisin Interface.
Science, 346, 2014
5A2A
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BU of 5a2a by Molmil
Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass
Descriptor: ACETATE ION, APO FORM OF ANOXYBACILLUS ALPHA-AMYLASES, CALCIUM ION
Authors:Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M.
Deposit date:2015-05-16
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass.
Sci.Rep., 6, 2016
5A2B
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BU of 5a2b by Molmil
Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass
Descriptor: ANOXYBACILLUS ALPHA-AMYLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M.
Deposit date:2015-05-17
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass.
Sci.Rep., 6, 2016
5A2C
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BU of 5a2c by Molmil
Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass
Descriptor: ALPHA-AMYLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M.
Deposit date:2015-05-17
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass.
Sci.Rep., 6, 2016
6NZV
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BU of 6nzv by Molmil
Crystal structure of HCV NS3/4A protease in complex with compound 12
Descriptor: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ...
Authors:Appleby, T.C, Taylor, J.G.
Deposit date:2019-02-14
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
6NZT
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BU of 6nzt by Molmil
Crystal structure of HCV NS3/4A protease in complex with voxilaprevir
Descriptor: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ...
Authors:Appleby, T.C, Taylor, J.G.
Deposit date:2019-02-14
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
6UUO
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BU of 6uuo by Molmil
Crystal structure of BRAF kinase domain bound to the PROTAC P4B
Descriptor: N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F.
Deposit date:2019-10-30
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.288 Å)
Cite:Functional characterization of a PROTAC directed against BRAF mutant V600E.
Nat.Chem.Biol., 16, 2020
5W41
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BU of 5w41 by Molmil
Zika MR766 NLS in complex with Importin alpha subunit-1
Descriptor: Importin subunit alpha-1, ZIKA MR766 NLS
Authors:Jeffress, S, Smith, K.M, Forwood, J.K.
Deposit date:2017-06-08
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Zika virus NS5 forms supramolecular nuclear bodies that sequester importin alpha and modulate the host immune and pro-inflammatory response in neuronal cells.
ACS Infect Dis, 2019
7KHJ
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BU of 7khj by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX8512 in the DFG-in state
Descriptor: 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
7KHG
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BU of 7khg by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397
Descriptor: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
7KHK
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BU of 7khk by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX9486 (bezuclastinib) in the DFG-in state
Descriptor: 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021

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PDB entries from 2024-03-27

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