6AMO
 
 | | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.0 | | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ... | | Authors: | Martinez, S.E, Das, K, Arnold, E. | | Deposit date: | 2017-08-10 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
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5CDM
 | | 2.5A structure of QPT-1 with S.aureus DNA gyrase and DNA | | Descriptor: | (2R,4S,4aS)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | | Deposit date: | 2015-07-04 | | Release date: | 2015-12-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
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3ANY
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3KRL
 | | cFMS Tyrosine kinase in complex with 5-Cyano-furan-2-carboxylic acid [4-(4-methyl-piperazin-1-yl)-2-piperidin-1-yl-phenyl]-amide | | Descriptor: | 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide, Macrophage colony-stimulating factor 1 receptor, Basic fibroblast growth factor receptor 1, ... | | Authors: | Schubert, C. | | Deposit date: | 2009-11-18 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Optimization of a Potent Class of Arylamide Colony-Stimulating Factor-1 Receptor Inhibitors Leading to Anti-inflammatory Clinical Candidate 4-Cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141).
J.Med.Chem., 54, 2011
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3AO1
 | | Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase | | Descriptor: | 1,3-benzodioxol-5-ol, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Parker, M.W, Chalmers, D.K, Scanlon, M.J. | | Deposit date: | 2010-09-17 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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6AN2
 | | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.5 | | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3'), DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | | Authors: | Martinez, S.E, Das, K, Arnold, E. | | Deposit date: | 2017-08-11 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
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6A34
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3CH0
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7JKC
 | | Sheep Connexin-46 at 1.9 angstroms resolution by CryoEM | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein | | Authors: | Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L. | | Deposit date: | 2020-07-28 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
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4IBM
 | | Crystal structure of insulin receptor kinase domain in complex with an inhibitor Irfin-1 | | Descriptor: | 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3H-pyrazolo[3,4-c]pyridazin-3-one, Insulin receptor | | Authors: | Wu, J, Anastassiadis, T, Duong-Ly, K.C, Peterson, J.R. | | Deposit date: | 2012-12-08 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A highly selective dual insulin receptor (IR)/insulin-like growth factor 1 receptor (IGF-1R) inhibitor derived from an extracellular signal-regulated kinase (ERK) inhibitor.
J.Biol.Chem., 288, 2013
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4AG9
 | | C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): ternary complex with coenzyme A and GlcNAc | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, ... | | Authors: | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | | Deposit date: | 2012-01-24 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1.
Acta Crystallogr.,Sect.D, 68, 2012
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5GJV
 | | Structure of the mammalian voltage-gated calcium channel Cav1.1 complex at near atomic resolution | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, J.P, Yan, Z, Li, Z.Q, Zhou, Q, Yan, N. | | Deposit date: | 2016-07-02 | | Release date: | 2016-09-14 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of the voltage-gated calcium channel Cav1.1 at 3.6 angstrom resolution
Nature, 537, 2016
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4O0Y
 | | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | | Descriptor: | 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol, Serine/threonine-protein kinase PAK 4 | | Authors: | Rouge, L, Tam, C, Wang, W. | | Deposit date: | 2013-12-14 | | Release date: | 2014-02-12 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
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2VNY
 | | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine | | Descriptor: | 1-(9H-purin-6-yl)piperidin-4-amine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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7BYX
 | | Crystal structure of exo-beta-1,3-galactanase from Phanerochaete chrysosporium Pc1,3Gal43A E208A with beta-1,3-galactotriose | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Matsuyama, K, Ishida, T, Kishine, N, Fujimoto, Z, Igarashi, K, Kaneko, S. | | Deposit date: | 2020-04-24 | | Release date: | 2020-11-04 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Unique active-site and subsite features in the arabinogalactan-degrading GH43 exo-beta-1,3-galactanase from Phanerochaete chrysosporium .
J.Biol.Chem., 295, 2020
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1MUI
 | | Crystal structure of HIV-1 protease complexed with Lopinavir. | | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | | Authors: | Stoll, V, Qin, W, Stewart, K.D, Jakob, C, Park, C, Walter, K, Simmer, R.L, Helfrich, R, Bussiere, D, Kao, J, Kempf, D, Sham, H.L, Norbeck, D.W. | | Deposit date: | 2002-09-23 | | Release date: | 2002-10-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease
BIOORG.MED.CHEM., 10, 2002
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4BSO
 | | Crystal structure of R-spondin 1 (Fu1Fu2) - Native | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, R-SPONDIN-1 | | Authors: | Peng, W.C, de Lau, W, Forneris, F, Granneman, J.C.M, Huch, M, Clevers, H, Gros, P. | | Deposit date: | 2013-06-11 | | Release date: | 2013-06-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Stem Cell Growth Factor R-Spondin 1 in Complex with the Ectodomain of its Receptor Lgr5.
Cell Rep., 3, 2013
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7EO4
 | | Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to BAF312 | | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | He, Y, Xu, Z, Ikuta, T, Inoue, A. | | Deposit date: | 2021-04-21 | | Release date: | 2022-01-05 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
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4JEC
 | | Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir | | Descriptor: | CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | Authors: | Kovalevsky, A.Y, Weber, I.T, Langan, P. | | Deposit date: | 2013-02-26 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION | | Cite: | Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.
J.Med.Chem., 56, 2013
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5YG6
 | | Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and GMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, GUANOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Gogoi, P, Kanaujia, S.P. | | Deposit date: | 2017-09-22 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
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5YFW
 | | Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and AMP | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Gogoi, P, Kanaujia, S.P. | | Deposit date: | 2017-09-22 | | Release date: | 2018-02-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
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5YGA
 | | Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate, AMP and GMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Gogoi, P, Kanaujia, S.P. | | Deposit date: | 2017-09-22 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
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3A2O
 | | Crystal Structure of HIV-1 Protease Complexed with KNI-1689 | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide, GLYCEROL, PROTEASE | | Authors: | Adachi, M, Tamada, T, Hidaka, K, Kimura, T, Kiso, Y, Kuroki, R. | | Deposit date: | 2009-05-26 | | Release date: | 2010-03-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
J.Med.Chem., 52, 2009
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5YG7
 | | Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and GMP | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, GUANOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Gogoi, P, Kanaujia, S.P. | | Deposit date: | 2017-09-22 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
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2ZYE
 | | Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography | | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease | | Authors: | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | | Deposit date: | 2009-01-20 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-29 | | Method: | NEUTRON DIFFRACTION (1.9 Å) | | Cite: | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
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