1FZV
 
 | | THE CRYSTAL STRUCTURE OF HUMAN PLACENTA GROWTH FACTOR-1 (PLGF-1), AN ANGIOGENIC PROTEIN AT 2.0A RESOLUTION | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PLACENTA GROWTH FACTOR | | Authors: | Iyer, S, Leonidas, D.D, Swaminathan, G.J, Maglione, D, Battisti, M, Tucci, M, Persico, M.G, Acharya, K.R. | | Deposit date: | 2000-10-04 | | Release date: | 2001-05-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of human placenta growth factor-1 (PlGF-1), an angiogenic protein, at 2.0 A resolution.
J.Biol.Chem., 276, 2001
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5AL3
 | | Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | | Descriptor: | (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Nkizinkiko, Y, Lehtio, L. | | Deposit date: | 2015-03-06 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
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5LLP
 | | Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2016-07-28 | | Release date: | 2017-08-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
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6QLY
 | | IDOL FERM domain | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase MYLIP, SULFATE ION | | Authors: | Martinelli, L, Sixma, T.K. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis of the LDL receptor-interacting FERM domain in the E3 ubiquitin ligase IDOL reveals an obscured substrate-binding site.
J.Biol.Chem., 295, 2020
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7Z89
 | | Sam68 | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Isoform 2 of KH domain-containing, ... | | Authors: | Nadal, M, Fuentes-Prior, P. | | Deposit date: | 2022-03-16 | | Release date: | 2023-02-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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5ACK
 | | Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket | | Descriptor: | 1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Schulze, J.O, Kroon, E, Doemling, A, Biondi, R.M. | | Deposit date: | 2015-08-17 | | Release date: | 2015-10-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods.
Angew.Chem.Int.Ed.Engl., 54, 2015
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6Q4U
 | | KlenTaq DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*(DOC))-3'), ... | | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide.
Angew.Chem.Int.Ed.Engl., 58, 2019
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5AI5
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 1,3-DIPHENYLUREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-02-12 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5IW8
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 4 [5-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] | | Descriptor: | 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Brunner, K, Schnell, R, Schneider, G. | | Deposit date: | 2016-03-22 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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5LKC
 | | Protruding domain of GII.17 norovirus Kawasaki308 in complex with HBGA type A (triglycan) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Major capsid protein, ... | | Authors: | Singh, B.K, Morozov, V, Hansman, G.S. | | Deposit date: | 2016-07-22 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Human norovirus inhibition by a human milk oligosaccharide.
Virology, 508, 2017
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5AEP
 | | Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders | | Descriptor: | 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Canevari, G, Bertrand, J, Brasca, M.G, Nesi, M, Amboldi, N, Avanzi, N, Bindi, S, Casero, D, Ciomei, M, Colombo, N, Cribioli, S, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Motto, I, Panzeri, A, Gnocchi, P, Donati, D. | | Deposit date: | 2015-01-08 | | Release date: | 2015-04-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders.
Bioorg.Med.Chem., 23, 2015
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7ZAF
 | | Sam68 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nadal, M, Puestes-Prior, P. | | Deposit date: | 2022-03-22 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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7AKM
 | | Crystal structure of CHK1 kinase domain in complex with ATPyS | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, MAGNESIUM ION, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2020-10-01 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein.
Structure, 29, 2021
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7AWF
 | | The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | | Descriptor: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. | | Deposit date: | 2020-11-07 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
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9J9F
 | | Bovine ABCC1 conformation 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Multidrug resistance-associated protein 1 | | Authors: | Zhong, C, Wang, F, Liu, Z, Yu, G. | | Deposit date: | 2024-08-22 | | Release date: | 2025-09-03 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Bovine ABCC1 conformation 1
To Be Published
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6D2U
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7DB4
 | | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP012- and glutathione-bound form | | Descriptor: | 1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one, GLUTATHIONE, Glutathione S-transferase E14 | | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | | Deposit date: | 2020-10-18 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
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5OP7
 | | Structure of CHK1 10-pt. mutant complex with pyrrolopyrimidine LRRK2 inhibitor | | Descriptor: | CHLORIDE ION, SODIUM ION, Serine/threonine-protein kinase Chk1, ... | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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6CGX
 | | Backbone cyclised conotoxin Vc1.1 mutant - D11A, E14A | | Descriptor: | Alpha-conotoxin Vc1A | | Authors: | Clark, R.J. | | Deposit date: | 2018-02-21 | | Release date: | 2018-05-23 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Structure-Activity Studies Reveal the Molecular Basis for GABAB-Receptor Mediated Inhibition of High Voltage-Activated Calcium Channels by alpha-Conotoxin Vc1.1.
ACS Chem. Biol., 13, 2018
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3HKU
 | | Human carbonic anhydrase II in complex with topiramate | | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | | Authors: | Paul, B, Poulsen, S.-A, Hofmann, A. | | Deposit date: | 2009-05-25 | | Release date: | 2009-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
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6CTB
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6QEF
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR (S)-3-Hydroxy-2-oxo-1-phenyl-pyrrolidine-3-carboxylic acid 3-chloro-5-fluoro-benzylamide | | Descriptor: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Musil, D, Heinrich, T, Lehmann, M. | | Deposit date: | 2019-01-07 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
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9JFM
 | | Co-crystal Structure of sEH with tetrahydroberberine derivative | | Descriptor: | 1-[(13~{a}~{R})-2,3-dimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[3,2-a]isoquinolin-10-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | Authors: | Wang, H, Feng, Y, Du, X.Y. | | Deposit date: | 2024-09-04 | | Release date: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Co-crystal Structure of sEH with tetrahydroberberine derivative
To Be Published
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7TDU
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-03 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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6QIU
 | | Crystal structure of 14-3-3 sigma in complex with Ataxin-1 Ser776 phosphopeptide | | Descriptor: | 14-3-3 protein sigma, Ataxin-1 phosphopeptide, CHLORIDE ION, ... | | Authors: | Leysen, S, Milroy, L.G, Davis, J.M, Brunsveld, L, Ottmann, C. | | Deposit date: | 2019-01-21 | | Release date: | 2020-05-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Structural insights into the cytoplasmic chaperone effect of 14-3-3 proteins on Ataxin-1
To Be Published
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