5E2M
 
 | | Crystal structure of human carbonic anhydrase isozyme I with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2015-10-01 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
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9CEC
 | | SARS-CoV-2 3CL Protease complexed with covalent inhibitor BC671 | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | Authors: | Farzandh, S, Hoffpauir, Z.A, Meneely, K.M, Lamb, A.L. | | Deposit date: | 2024-06-26 | | Release date: | 2025-01-15 | | Last modified: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Dual Inhibitors of SARS-CoV-2 3CL Protease and Human Cathepsin L Containing Glutamine Isosteres Are Anti-CoV-2 Agents.
J.Am.Chem.Soc., 147, 2025
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6TAH
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5WLR
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7G9W
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z444860982 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.855 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7G9Z
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1216822028 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.622 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GA4
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z56823075 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5T3N
 | | Sp-2Cl-cAMPS bound to PKAR CBD2 | | Descriptor: | (2S,4aR,6R,7R,7aS)-6-(6-amino-2-chloro-9H-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one, IODIDE ION, cAMP-dependent protein kinase regulatory subunit | | Authors: | Littler, D.R, Gilson, P. | | Deposit date: | 2016-08-26 | | Release date: | 2016-10-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Disrupting the Allosteric Interaction between the Plasmodium falciparum cAMP-dependent Kinase and Its Regulatory Subunit.
J. Biol. Chem., 291, 2016
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7G9Q
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z751811134 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N,N-dimethylpyridine-3-sulfonamide, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.131 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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9E9C
 | | Mouse mitoribosome large subunit assembly intermediate bound to NSUN4, METRF4, GTPBP7, GTPBP10 and the MALSU1-L0R8F8-mt-ACP complex (without uL16m), State B1 (SAMC knock-out) | | Descriptor: | 5-cytosine rRNA methyltransferase NSUN4, Acyl carrier protein, mitochondrial, ... | | Authors: | Singh, V, Rorbach, J, Freyer, C, Amunts, A, Wredenberg, A. | | Deposit date: | 2024-11-08 | | Release date: | 2025-08-06 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | The mitochondrial methylation potential gates mitoribosome assembly.
Nat Commun, 16, 2025
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7G9V
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z383202616 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-(1H-indazol-6-yl)acetamide, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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3FDS
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6MDW
 | | Mechanism of protease dependent DPC repair | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CITRATE ANION, ... | | Authors: | Li, F, Raczynska, J, Chen, Z, Yu, H. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Insight into DNA-Dependent Activation of Human Metalloprotease Spartan.
Cell Rep, 26, 2019
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7G9P
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1619958679 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.743 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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9E8P
 | | Crystal Structure of GABARAP-ATG3 conjugate | | Descriptor: | 1,2-ETHANEDIOL, Gamma-aminobutyric acid receptor-associated protein, SULFATE ION, ... | | Authors: | Ohashi, K, Otomo, T. | | Deposit date: | 2024-11-05 | | Release date: | 2025-08-06 | | Last modified: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Insights into the GABARAP-ATG3 Backside Interaction and Apo ATG3 Conformation.
Biochemistry, 64, 2025
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1ASU
 | | AVIAN SARCOMA VIRUS INTEGRASE CATALYTIC CORE DOMAIN CRYSTALLIZED FROM 2% PEG 400, 2M AMMONIUM SULFATE, HEPES PH 7.5 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE | | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1995-08-25 | | Release date: | 1995-11-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-resolution structure of the catalytic domain of avian sarcoma virus integrase.
J.Mol.Biol., 253, 1995
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4CZT
 | | Crystal structure of the kinase domain of CIPK23 | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CBL-INTERACTING SERINE/THREONINE-PROTEIN KINASE 23, SULFATE ION | | Authors: | Chaves-Sanjuan, A, Sanchez-Barrena, M.J, Albert, A. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Regulatory Mechanism of the Plant Cipk Family of Protein Kinases Controlling Ion Homeostasis and Abiotic Stress
Proc.Natl.Acad.Sci.USA, 111, 2014
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7TQO
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7TQN
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9E9B
 | | Crystal structure of L. monocytogenes MenD with Mg2+ and ThDP bound | | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | | Authors: | Klein, M, Given, F.M, Ho, N.A.T, Allison, T.M, Johnston, J.M. | | Deposit date: | 2024-11-08 | | Release date: | 2025-07-30 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structures of Listeria monocytogenes MenD in ThDP-bound and in-crystallo captured intermediate I-bound forms.
Acta Crystallogr.,Sect.F, 81, 2025
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6LYK
 | | Crystal Structure of R1263A mutant of Formylglycinamidine Synthetase | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE, ... | | Authors: | Sharma, N, Tanwar, A.S, Anand, R. | | Deposit date: | 2020-02-14 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
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5WBU
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7TQP
 | | Structure of human TREX1 | | Descriptor: | SULFATE ION, Three-prime repair exonuclease 1 | | Authors: | Zhou, W, Richmond-Buccola, D, Kranzusch, P.J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis of human TREX1 DNA degradation and autoimmune disease.
Nat Commun, 13, 2022
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5C9O
 | | Crystal structure of recombinant PLL lectin from Photorhabdus luminescens at 1.5 A resolution | | Descriptor: | GLYCEROL, PLL lectin | | Authors: | Kumar, A, Sykorova, P, Demo, G, Dobes, P, Hyrsl, P, Wimmerova, M. | | Deposit date: | 2015-06-28 | | Release date: | 2016-10-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure.
J.Biol.Chem., 291, 2016
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2R9L
 | | Polymerase Domain from Mycobacterium tuberculosis Ligase D in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*DGP*DCP*DCP*DGP*DCP*DAP*DAP*DCP*DGP*DCP*DA)-3'), ... | | Authors: | Brissett, N.C, Fox, G.C, Pitcher, R.S, Doherty, A.J. | | Deposit date: | 2007-09-13 | | Release date: | 2008-01-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a NHEJ polymerase-mediated DNA synaptic complex
Science, 318, 2007
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