7GF4
 
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-17 (Mpro-x11560) | | Descriptor: | (2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.561 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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2L61
 | | Protein and metal cluster structure of the wheat metallothionein domain g-Ec-1. The second part of the puzzle. | | Descriptor: | CADMIUM ION, EC protein I/II | | Authors: | Loebus, J, Peroza, E.A, Bluethgen, N, Fox, T, Meyer-Klaucke, W, Zerbe, O, Freisinger, E. | | Deposit date: | 2010-11-12 | | Release date: | 2011-05-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Protein and metal cluster structure of the wheat metallothionein domain gamma-E(c)-1: the second part of the puzzle.
J.Biol.Inorg.Chem., 16, 2011
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2PE5
 | | Crystal Structure of the Lac Repressor bound to ONPG in repressed state | | Descriptor: | 2-nitrophenyl beta-D-galactopyranoside, DNA (5'-D(*DAP*DAP*DTP*DTP*DGP*DTP*DGP*DAP*DGP*DCP*DGP*DCP*DTP*DCP*DAP*DCP*DAP*DAP*DTP*DT)-3'), Lactose operon repressor | | Authors: | Daber, R, Stayrook, S.E, Rosenberg, A, Lewis, M. | | Deposit date: | 2007-04-02 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural analysis of lac repressor bound to allosteric effectors
J.Mol.Biol., 370, 2007
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2P5G
 | | Crystal structure of RB69 gp43 in complex with DNA with dAMP opposite an abasic site analog in a 21mer template | | Descriptor: | DNA polymerase, Primer DNA, Template DNA | | Authors: | Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S. | | Deposit date: | 2007-03-15 | | Release date: | 2007-10-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
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7RCJ
 | | Crystal structure of ZnuA from Citrobacter koseri | | Descriptor: | 6-tungstotellurate(VI), High-affinity zinc uptake system protein ZnuA, ZINC ION | | Authors: | Yukl, E.T, Yekwa, E.L. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Conformational flexibility in the zinc solute-binding protein ZnuA.
Acta Crystallogr.,Sect.F, 78, 2022
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8EA4
 | | V-K CAST Transpososome from Scytonema hofmanni, minor configuration | | Descriptor: | 30S ribosomal protein S15, ADENOSINE-5'-TRIPHOSPHATE, Cas12k, ... | | Authors: | Rizo, A.R, Park, J.-U, Tsai, A.W, Kellogg, E.K. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-30 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of the holo CRISPR RNA-guided transposon integration complex.
Nature, 613, 2023
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6OAE
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4ZZY
 | | Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor | | Descriptor: | 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 | | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | | Deposit date: | 2015-04-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
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6OBB
 | | JAK2 JH2 in complex with JAK170 | | Descriptor: | 5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Krimmer, S.G, Liosi, M.E, Puleo, D.E, Schlessinger, J, Jorgensen, W.L. | | Deposit date: | 2019-03-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
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6OEC
 | | Yeast Spc42 Trimeric Coiled-Coil Amino Acids 181-211 fused to PDB: 3H5I | | Descriptor: | CALCIUM ION, Response regulator/sensory box protein/GGDEF domain protein,Spindle pole body component SPC42 | | Authors: | Drennan, A.C, Shivaani, K, Seeger, M.A, Andreas, M.P, Gardner, J.M, Sether, E.K.R, Jasperson, S.L, Rayment, I. | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.514 Å) | | Cite: | Structure and function of Spc42 coiled-coils in yeast centrosome assembly and duplication.
Mol.Biol.Cell, 30, 2019
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6OCP
 | | Crystal structure of a human GABAB receptor peptide bound to KCTD16 T1 | | Descriptor: | BTB/POZ domain-containing protein KCTD16, Gamma-aminobutyric acid type B receptor subunit 2 | | Authors: | Zuo, H, Glaaser, I, Zhao, Y, Kurinov, I, Mosyak, L, Wang, H, Liu, J, Park, J, Frangaj, A, Sturchler, E, Zhou, M, McDonald, P, Geng, Y, Slesinger, P.A, Fan, Q.R. | | Deposit date: | 2019-03-25 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for auxiliary subunit KCTD16 regulation of the GABABreceptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4TLG
 | | Crystal structure of SEC14-like protein 4 (SEC14L4) | | Descriptor: | 1,2-ETHANEDIOL, SEC14-like protein 4, UNDECANOIC ACID | | Authors: | Vollmar, M, Kopec, J, Kiyani, W, Shrestha, L, Sorrell, F, Krojer, T, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2014-05-29 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of SEC14-like protein 4 (SEC14L4)
To Be Published
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5I6X
 | | X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the central site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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2KU0
 | | Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA | | Descriptor: | (7S)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA | | Authors: | Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R. | | Deposit date: | 2010-02-10 | | Release date: | 2010-04-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Inhibitor-induced structural change in the HCV IRES domain IIa RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6UB0
 | | Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with laminaribiose at -2 and -1 subsites | | Descriptor: | Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | | Authors: | Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T. | | Deposit date: | 2019-09-11 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
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6OJ0
 | | Cryo-EM reconstruction of Sulfolobus polyhedral virus 1 (SPV1) | | Descriptor: | Structural protein VP4, Uncharacterized protein | | Authors: | Wang, F, Liu, Y, Conway, J.F, Krupovic, M, Prangishvili, D, Egelman, E.H. | | Deposit date: | 2019-04-10 | | Release date: | 2019-10-02 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A packing for A-form DNA in an icosahedral virus.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6UCU
 | | Cryo-EM structure of the mitochondrial TOM complex from yeast (dimer) | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ... | | Authors: | Park, E, Tucker, K. | | Deposit date: | 2019-09-17 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Cryo-EM structure of the mitochondrial protein-import channel TOM complex at near-atomic resolution.
Nat.Struct.Mol.Biol., 26, 2019
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6TZH
 | | ADC-7 in complex with boronic acid transition state inhibitor S06015 | | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION, ... | | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | | Deposit date: | 2019-08-12 | | Release date: | 2020-06-24 | | Last modified: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
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8EDK
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4USD
 | | Human STK10 (LOK) with SB-633825 | | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2014-07-07 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
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5L9W
 | | Crystal structure of the Apc core complex | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Acetophenone carboxylase alpha subunit, ... | | Authors: | Warkentin, E, Weidenweber, S, Ermler, U. | | Deposit date: | 2016-06-11 | | Release date: | 2017-01-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the acetophenone carboxylase core complex: prototype of a new class of ATP-dependent carboxylases/hydrolases.
Sci Rep, 7, 2017
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6U5E
 | | RT XFEL structure of CypA solved using celloluse carrier media | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Wolff, A.M, Nango, E, Nakane, T, Young, I.D, Brewster, A.S, Sugahara, M, Tanaka, R, Sauter, N.K, Tono, K, Iwata, S, Fraser, J.S, Thompson, M.C. | | Deposit date: | 2019-08-27 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
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5ACC
 | | A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models | | Descriptor: | (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID, ESTROGEN RECEPTOR | | Authors: | Norman, R.A, Weir, H.M, Bradbury, R.H, Lawson, M, Rabow, A.A, Buttar, D, Callis, R.J, Curwen, J.O, de Almeida, C, Ballard, P, Hulse, M, Donald, C.S, Feron, L.J.L, Gingell, H, Karoutchi, G, MacFaul, P, Moss, T, Pearson, S.E, Tonge, M, Davies, G, Walker, G.E, Wilson, Z, Rowlinson, R, Powell, S, Hemsley, P, Linney, E, Campbell, H, Ghazoui, Z, Sadler, C, Richmond, G, Pazolli, E, Mazzola, A.M, DCruz, C, De Savi, C. | | Deposit date: | 2015-08-15 | | Release date: | 2015-12-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
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8RRP
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5KR2
 | | Protease PR5-SQV | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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