3VQQ
 
 | | HIV-1 integrase core domain in complex with 2,1,3-benzothiadiazol-4-amine | | Descriptor: | 2,1,3-benzothiadiazol-4-amine, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-29 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3VFM
 | | crystal structure of HLA B*3508 LPEP155A, HLA mutant Ala155 | | Descriptor: | Beta-2-microglobulin, LPEP peptide from EBV, LPEPLPQGQLTAY, ... | | Authors: | Liu, Y.C, Rossjohn, J, Gras, S. | | Deposit date: | 2012-01-10 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
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1MY9
 | | Solution structure of a K+ cation stabilized dimeric RNA quadruplex containing two G:G(:A):G:G(:A) hexads, G:G:G:G tetrads and UUUU loops | | Descriptor: | 5'-R(*GP*GP*AP*GP*GP*UP*UP*UP*UP*GP*GP*AP*GP*G)-3' | | Authors: | Liu, H, Matsugami, A, Katahira, M, Uesugi, S. | | Deposit date: | 2002-10-04 | | Release date: | 2003-10-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A Dimeric RNA Quadruplex Architecture Comprised of Two G:G(:A):G:G(:A) Hexads, G:G:G:G Tetrads and UUUU Loops
J.Mol.Biol., 322, 2002
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6RYA
 | | Structure of Dup1 mutant H67A:Ubiquitin complex | | Descriptor: | Polyubiquitin-C, Septation initiation protein | | Authors: | Donghyuk, S, Ivan, D. | | Deposit date: | 2019-06-10 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB.
Mol.Cell, 77, 2020
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3VS4
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Descriptor: | 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.747 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
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4ZZJ
 | | SIRT1/Activator/Substrate Complex | | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7403 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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6RQC
 | | Cryo-EM structure of an MCM loading intermediate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (88-MER), ... | | Authors: | Miller, T.C.R, Locke, J, Costa, A. | | Deposit date: | 2019-05-15 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Mechanism of head-to-head MCM double-hexamer formation revealed by cryo-EM.
Nature, 575, 2019
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6RZX
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | | Descriptor: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Kugler, M, Brynda, J, Rezacova, P. | | Deposit date: | 2019-06-13 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
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5A2F
 | | Two membrane distal IgSF domains of CD166 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD166 ANTIGEN | | Authors: | Chappell, P.E, Johnson, S, Lea, S.M, Brown, M.H. | | Deposit date: | 2015-05-18 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structures of Cd6 and its Ligand Cd166 Give Insight Into Their Interaction.
Structure, 23, 2015
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3VT6
 | | Crystal structure of rat VDR-LBD with 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 | | Descriptor: | (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | | Deposit date: | 2012-05-19 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
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3VTC
 | | Crystal structure of rat vitamin D receptor bound to a partial agonist 26-adamantyl-23-yne-19-norvitammin D ADTK3 | | Descriptor: | (1R,3R,7E,17beta)-17-{(2R,6R)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 1,2-ETHANEDIOL, COACTIVATOR PEPTIDE DRIP, ... | | Authors: | Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N. | | Deposit date: | 2012-05-26 | | Release date: | 2013-06-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
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5A6D
 | | Proliferating Cell Nuclear Antigen, PCNA, from Thermococcus gammatolerans | | Descriptor: | DNA POLYMERASE SLIDING CLAMP | | Authors: | Venancio-Landeros, A, Cardona-Felix, C.S, Rudino-Pinera, E. | | Deposit date: | 2015-06-25 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cloning, recombinant production and crystallographic structure of Proliferating Cell Nuclear Antigen from radioresistant archaeon Thermococcus gammatolerans.
Biochem Biophys Rep, 8, 2016
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3VI2
 | | Crystal Structure Analysis of Plasmodium falciparum OMP Decarboxylase in complex with inhibitor HMOA | | Descriptor: | 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid, Orotidine 5'-phosphate decarboxylase, SODIUM ION | | Authors: | Takashima, Y, Mizohata, E, Krungkrai, S.R, Matsumura, H, Krungkrai, J, Horii, T, Inoue, T. | | Deposit date: | 2011-09-16 | | Release date: | 2012-08-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The in silico screening and X-ray structure analysis of the inhibitor complex of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase
J.Biochem., 152, 2012
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1N2Z
 | | 2.0 Angstrom structure of BtuF, the vitamin B12 binding protein of E. coli | | Descriptor: | CADMIUM ION, CHLORIDE ION, CYANOCOBALAMIN, ... | | Authors: | Borths, E.L, Locher, K.P, Lee, A.T, Rees, D.C. | | Deposit date: | 2002-10-24 | | Release date: | 2002-12-18 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of Escherichia coli BtuF and binding to its cognate ATP binding cassette transporter
Proc.Natl.Acad.Sci.USA, 99, 2002
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6RVF
 | | Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-phenyl | | Descriptor: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea, Carbonic anhydrase 2, ZINC ION | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2019-05-31 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
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1MWK
 | | ParM from plasmid R1 APO form | | Descriptor: | ParM | | Authors: | Van den Ent, F, Moller-Jensen, J, Amos, L.A, Gerdes, K, Lowe, J. | | Deposit date: | 2002-09-30 | | Release date: | 2003-01-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | F-actin-like filaments formed by plasmid segregation protein ParM
EMBO J., 21, 2002
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5AA9
 | | Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
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5AAB
 | | Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
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1MXL
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3VKH
 | | X-ray structure of a functional full-length dynein motor domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dynein heavy chain, cytoplasmic | | Authors: | Kon, T, Oyama, T, Shimo-Kon, R, Suto, K, Kurisu, G. | | Deposit date: | 2011-11-16 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | The 2.8 A crystal structure of the dynein motor domain
Nature, 484, 2012
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5AF9
 | | Thrombin in complex with 4-Methoxy-N-(2-pyridinyl)benzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methoxy-N-(pyridin-2-yl)benzamide, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-01-20 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
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1N3C
 | | Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase | | Descriptor: | 8-oxoG-containing DNA, CALCIUM ION, DNA complement strand, ... | | Authors: | Norman, D.P, Chung, S.J, Verdine, G.L. | | Deposit date: | 2002-10-25 | | Release date: | 2003-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase
Biochemistry, 42, 2003
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1N0Z
 | | Solution structure of the first zinc-finger domain from ZNF265 | | Descriptor: | ZINC ION, ZNF265 | | Authors: | Plambeck, C.A, Fairley, K, Kwan, A.H.Y, Westman, B.J, Adams, D, Morris, B, Mackay, J.P. | | Deposit date: | 2002-10-15 | | Release date: | 2003-07-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The structure of the zinc finger domain from human splicing factor ZNF265 fold
J.BIOL.CHEM., 278, 2003
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6S5N
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3VPI
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