6BP8
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![BU of 6bp8 by Molmil](/molmil-images/mine/6bp8) | Recombinant major vault protein [Rattus norvegicus] structure in solution: conformation 1 | Descriptor: | Major vault protein | Authors: | Ding, K, Zhang, X, Mrazek, J, Kickhoefer, V.A, Lai, M, Ng, H.L, Yang, O.O, Rome, L.H, Zhou, Z.H. | Deposit date: | 2017-11-22 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Solution Structures of Engineered Vault Particles. Structure, 26, 2018
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6BTW
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![BU of 6btw by Molmil](/molmil-images/mine/6btw) | Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor | Descriptor: | 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-12-07 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor To Be Published
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6BOY
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![BU of 6boy by Molmil](/molmil-images/mine/6boy) | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET6 PROTAC. | Descriptor: | 2-[(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]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide, Bromodomain-containing protein 4, DNA damage-binding protein 1, ... | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | Deposit date: | 2017-11-21 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
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6BQT
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![BU of 6bqt by Molmil](/molmil-images/mine/6bqt) | |
5D8L
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![BU of 5d8l by Molmil](/molmil-images/mine/5d8l) | |
5D24
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![BU of 5d24 by Molmil](/molmil-images/mine/5d24) | First bromodomain of BRD4 bound to inhibitor XD26 | Descriptor: | 1,2-ETHANEDIOL, 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Gerhardt, S. | Deposit date: | 2015-08-05 | Release date: | 2016-01-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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7XV6
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5D3H
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![BU of 5d3h by Molmil](/molmil-images/mine/5d3h) | First bromodomain of BRD4 bound to inhibitor XD29 | Descriptor: | Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide | Authors: | Wohlwend, D, Huegle, M, Weitzel, G. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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6CIT
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5D5U
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![BU of 5d5u by Molmil](/molmil-images/mine/5d5u) | Crystal structure of human Hsf1 with HSE DNA | Descriptor: | Heat shock Element DNA, Heat shock factor protein 1 | Authors: | Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A. | Deposit date: | 2015-08-11 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure of human heat-shock transcription factor 1 in complex with DNA. Nat.Struct.Mol.Biol., 23, 2016
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7Y04
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![BU of 7y04 by Molmil](/molmil-images/mine/7y04) | Hsp90-AhR-p23 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. | Deposit date: | 2022-06-03 | Release date: | 2023-01-04 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of the cytosolic AhR complex. Structure, 31, 2023
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6CPG
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![BU of 6cpg by Molmil](/molmil-images/mine/6cpg) | Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody | Authors: | Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D. | Deposit date: | 2018-03-13 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
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6CBI
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![BU of 6cbi by Molmil](/molmil-images/mine/6cbi) | PCNA in complex with inhibitor | Descriptor: | GLY-ARG-LYS-ARG-ARG-GLN-DAB-SER-MET-THR-GLU-PHE-TYR-HIS, Proliferating cell nuclear antigen, SULFATE ION | Authors: | Bruning, J.B, Wegener, K.L. | Deposit date: | 2018-02-03 | Release date: | 2018-07-04 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp. Chemistry, 24, 2018
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5DHA
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5DIF
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6CNX
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![BU of 6cnx by Molmil](/molmil-images/mine/6cnx) | Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, ... | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-09 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Human Vaccinia-Related Kinase 1 (VRK1) bound to a N-propynyl-N-isopentil-dihydropteridine inhibitor To Be Published
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7WTX
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![BU of 7wtx by Molmil](/molmil-images/mine/7wtx) | Cryo-EM structure of a human pre-40S ribosomal subunit - State RRP12-B1 | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | Authors: | Cheng, J, Lau, B, Thoms, M, Ameismeier, M, Berninghausen, O, Hurt, E, Beckmann, R. | Deposit date: | 2022-02-05 | Release date: | 2022-10-19 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The nucleoplasmic phase of pre-40S formation prior to nuclear export. Nucleic Acids Res., 50, 2022
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6CO2
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![BU of 6co2 by Molmil](/molmil-images/mine/6co2) | Structure of an engineered protein (NUDT16TI) in complex with 53BP1 Tudor domains | Descriptor: | NUDT16-Tudor-interacting (NUDT16TI), TP53-binding protein 1 | Authors: | Botuyan, M.V, Thompson, J.R, Cui, G, Mer, G. | Deposit date: | 2018-03-10 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein. Nat. Struct. Mol. Biol., 25, 2018
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5DI9
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6C83
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![BU of 6c83 by Molmil](/molmil-images/mine/6c83) | Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | Descriptor: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | Deposit date: | 2018-01-24 | Release date: | 2019-02-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Allosteric modulation of a human protein kinase with monobodies. Proc.Natl.Acad.Sci.USA, 116, 2019
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5D0C
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![BU of 5d0c by Molmil](/molmil-images/mine/5d0c) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-08-03 | Release date: | 2016-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5D3J
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![BU of 5d3j by Molmil](/molmil-images/mine/5d3j) | First bromodomain of BRD4 bound to inhibitor XD33 | Descriptor: | 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3R
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![BU of 5d3r by Molmil](/molmil-images/mine/5d3r) | First bromodomain of BRD4 bound to inhibitor XD42 | Descriptor: | 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5CTL
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![BU of 5ctl by Molmil](/molmil-images/mine/5ctl) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-24 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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7W1Y
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![BU of 7w1y by Molmil](/molmil-images/mine/7w1y) | Human MCM double hexamer bound to natural DNA duplex (polyAT/polyTA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (49-MER), ... | Authors: | Li, J, Dong, J, Dang, S, Zhai, Y. | Deposit date: | 2021-11-21 | Release date: | 2023-02-08 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | The human pre-replication complex is an open complex. Cell, 186, 2023
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