6NZV
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![BU of 6nzv by Molmil](/molmil-images/mine/6nzv) | 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
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6VY2
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5A2A
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![BU of 5a2a by Molmil](/molmil-images/mine/5a2a) | 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
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6VU2
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![BU of 6vu2 by Molmil](/molmil-images/mine/6vu2) | M1214_N1 Fab structure | Descriptor: | M1214 N1 Fab heavy chain, M1214 N1 Fab light chain | Authors: | Pan, R, Kong, X. | Deposit date: | 2020-02-14 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA. Cell Host Microbe, 27, 2020
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5W41
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6UUO
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![BU of 6uuo by Molmil](/molmil-images/mine/6uuo) | 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
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7KHK
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7KHJ
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![BU of 7khj by Molmil](/molmil-images/mine/7khj) | 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
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7KHG
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![BU of 7khg by Molmil](/molmil-images/mine/7khg) | 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
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8OZ3
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![BU of 8oz3 by Molmil](/molmil-images/mine/8oz3) | Crystal structure of scFv ATOR 1017 bound to human 4-1BB | Descriptor: | Single chain Fv, Tumor necrosis factor receptor superfamily member 9 | Authors: | Hakansson, M, Von Schantz, L, Rose, N. | Deposit date: | 2023-05-08 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1. Cancer Immunol.Immunother., 72, 2023
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6X6P
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![BU of 6x6p by Molmil](/molmil-images/mine/6x6p) | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C. | Deposit date: | 2020-05-28 | Release date: | 2020-06-10 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis. Biorxiv, 2020
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8RDZ
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8RIY
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![BU of 8riy by Molmil](/molmil-images/mine/8riy) | Human NUDT5 with ibrutinib derivative | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase | Authors: | Balikci-Akil, E, Elkins, J.M, Huber, K.V.M. | Deposit date: | 2023-12-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.288 Å) | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist. J.Med.Chem., 67, 2024
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8OTV
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![BU of 8otv by Molmil](/molmil-images/mine/8otv) | Crystal structure of NUDT14 complexed with novel compound | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist. J.Med.Chem., 67, 2024
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6YUC
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![BU of 6yuc by Molmil](/molmil-images/mine/6yuc) | Crystal structure of Uba4-Urm1 from Chaetomium thermophilum | Descriptor: | Adenylyltransferase and sulfurtransferase uba4, Ubiquitin-related modifier 1, ZINC ION | Authors: | Grudnik, P, Pabis, M, Ethiraju Ravichandran, K, Glatt, S. | Deposit date: | 2020-04-26 | Release date: | 2020-07-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Molecular basis for the bifunctional Uba4-Urm1 sulfur-relay system in tRNA thiolation and ubiquitin-like conjugation. Embo J., 39, 2020
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6Z6S
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![BU of 6z6s by Molmil](/molmil-images/mine/6z6s) | Crystal structure of Uba4-Urm1 from Chaetomium thermophilum | Descriptor: | Adenylyltransferase and sulfurtransferase uba4, Ubiquitin-related modifier 1, ZINC ION | Authors: | Grudnik, P, Pabis, M, Ethiraju Ravichandran, K, Glatt, S. | Deposit date: | 2020-05-29 | Release date: | 2020-07-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.153 Å) | Cite: | Molecular basis for the bifunctional Uba4-Urm1 sulfur-relay system in tRNA thiolation and ubiquitin-like conjugation. Embo J., 39, 2020
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6YUB
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![BU of 6yub by Molmil](/molmil-images/mine/6yub) | Crystal structure of Uba4 from Chaetomium thermophilum | Descriptor: | Adenylyltransferase and sulfurtransferase uba4, ZINC ION | Authors: | Grudnik, P, Pabis, M, Ethiraju Ravichandran, K, Glatt, S. | Deposit date: | 2020-04-26 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Molecular basis for the bifunctional Uba4-Urm1 sulfur-relay system in tRNA thiolation and ubiquitin-like conjugation. Embo J., 39, 2020
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6Y5F
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![BU of 6y5f by Molmil](/molmil-images/mine/6y5f) | Crystal structure of the envelope glycoprotein prefusion complex of Andes virus - Mutant H953F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein, PHOSPHATE ION, ... | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2020-02-25 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism. Cell, 183, 2020
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6Y6P
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6Y62
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![BU of 6y62 by Molmil](/molmil-images/mine/6y62) | Crystal structure of the envelope glycoprotein complex of Maporal virus in a prefusion conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2020-02-26 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism. Cell, 183, 2020
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6Y68
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6Y6Q
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6YRQ
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![BU of 6yrq by Molmil](/molmil-images/mine/6yrq) | Crystal structure of the tetramerization domain of the glycoprotein Gn (Andes virus) at pH 4.6 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2020-04-20 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism. Cell, 183, 2020
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6YRB
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![BU of 6yrb by Molmil](/molmil-images/mine/6yrb) | Crystal structure of the tetramerization domain of the glycoprotein Gn (Andes virus) at pH 7.5 | Descriptor: | Envelope polyprotein, IODIDE ION, RNA (5'-D(*())-R(P*UP*UP*UP*())-3'), ... | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2020-04-20 | Release date: | 2020-10-14 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism. Cell, 183, 2020
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7QQB
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![BU of 7qqb by Molmil](/molmil-images/mine/7qqb) | Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ... | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2022-01-07 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody. Sci Transl Med, 15, 2023
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