8HAG
 
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 1 (3.2 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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6R4D
 | | Aurora-A in complex with shape-diverse fragment 58 | | Descriptor: | (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
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8HAH
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 2 (3.9 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAM
 | | Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 2 | | Descriptor: | CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAI
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 1 (4.7 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAN
 | | Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 3 | | Descriptor: | CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAJ
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 2 (4.8 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAK
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 4 (4.5 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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4WNI
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6RML
 | | Crystal structure of TOPBP1 BRCT0,1,2 in complex with a 53BP1 phosphopeptide | | Descriptor: | 53BP1, DNA topoisomerase 2-binding protein 1 | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2019-05-07 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
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6RO3
 | | 2Yr-X: Lysozyme with Re Cluster 2 year on shelf | | Descriptor: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Brink, A, Helliwell, J.R. | | Deposit date: | 2019-05-10 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging.
Iucrj, 6, 2019
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4X3B
 | | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A. | | Deposit date: | 2014-11-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering.
Sci Rep, 5, 2015
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6QQ3
 | | The room temperature structure of lysozyme via the acoustic levitation of a droplet | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Axford, D.N, Docker, P, Dye, E, Morris, R. | | Deposit date: | 2019-02-17 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Non-Contact Universal Sample Presentation for Room Temperature Macromolecular Crystallography Using Acoustic Levitation.
Sci Rep, 9, 2019
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4R1E
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with a peptide-fragment chimera | | Descriptor: | 5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde, Myosin A tail domain interacting protein, Myosin-A | | Authors: | Douse, C.H, Vrielink, N, Cota, E, Tate, E.W. | | Deposit date: | 2014-08-05 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Targeting a Dynamic Protein-Protein Interaction: Fragment Screening against the Malaria Myosin A Motor Complex.
Chemmedchem, 10, 2015
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4YZ7
 | | Crystal structure of Piratoxin I (PrTX-I) complexed to aristolochic acid | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 9-HYDROXY ARISTOLOCHIC ACID, Basic phospholipase A2 homolog piratoxin-1, ... | | Authors: | Fernandes, C.A.H, Fontes, M.R.M. | | Deposit date: | 2015-03-24 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9589 Å) | | Cite: | Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids.
Plos One, 10, 2015
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4Z69
 | | Human serum albumin complexed with palmitic acid and diclofenac | | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, PALMITIC ACID, PENTADECANOIC ACID, ... | | Authors: | Zhang, Y, Yang, F. | | Deposit date: | 2015-04-04 | | Release date: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Structural basis of non-steroidal anti-inflammatory drug diclofenac binding to human serum albumin.
Chem.Biol.Drug Des., 86, 2015
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6GUB
 | | CDK2/CyclinA in complex with Flavopiridol | | Descriptor: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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4YU7
 | | Crystal structure of Piratoxin I (PrTX-I) complexed to caffeic acid | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Basic phospholipase A2 homolog piratoxin-1, CAFFEIC ACID, ... | | Authors: | Fernandes, C.A.H, Fontes, M.R.M. | | Deposit date: | 2015-03-18 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.647 Å) | | Cite: | Structural Basis for the Inhibition of a Phospholipase A2-Like Toxin by Caffeic and Aristolochic Acids.
Plos One, 10, 2015
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8HI9
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with Robinetin | | Descriptor: | 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Xie, H, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-11-19 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery of Polyphenolic Natural Products as SARS-CoV-2 M pro Inhibitors for COVID-19.
Pharmaceuticals, 16, 2023
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6GPK
 | | Crystal structure of human GDP-D-mannose 4,6-dehydratase (E157Q) in complex with GDP-Man | | Descriptor: | 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GLYCEROL, ... | | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-06-06 | | Release date: | 2018-07-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase.
Acs Catalysis, 9, 2019
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4X21
 | | The MAP kinase JNK3 as target for halogen bonding | | Descriptor: | CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide | | Authors: | Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F. | | Deposit date: | 2014-11-25 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.
J.Am.Chem.Soc., 137, 2015
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6R4C
 | | Aurora-A in complex with shape-diverse fragment 57 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-05-01 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
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1H9W
 | | Native Dioclea Guianensis seed lectin | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, SEED LECTIN | | Authors: | Romero, A, Wah, D.A, Sol, F.G.D, Cavada, B.S, Ramos, M.V, Grangeiro, T.B, Sampaio, A.H, Calvete, J.J. | | Deposit date: | 2001-03-22 | | Release date: | 2001-03-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Native and Cd/Cd-Substituted Dioclea Guianensis Seed Lectin. A Novel Manganese-Binding Site and Structural Basis of Dimer-Tetramer Association
J.Mol.Biol., 310, 2001
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6R4B
 | | Aurora-A in complex with shape-diverse fragment 56 | | Descriptor: | (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2019-03-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
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3KRK
 | | X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of L531F murine COX-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ... | | Authors: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | | Deposit date: | 2009-11-18 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of fatty acid substrate binding to cyclooxygenase-2.
J.Biol.Chem., 285, 2010
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