3VJT
 
 | | Vitamin D receptor complex with a carborane compound | | Descriptor: | 1-(2-[(R)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane, Vitamin D3 receptor, peptide from Mediator of RNA polymerase II transcription subunit 1 | | Authors: | Fujii, S, Masuno, M, Kagechika, H, Nakabayashi, M, Ito, N. | | Deposit date: | 2011-10-31 | | Release date: | 2012-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Boron Cluster-based Development of Potent Nonsecosteroidal Vitamin D Receptor Ligands: Direct Observation of Hydrophobic Interaction between Protein Surface and Carborane
J.Am.Chem.Soc., 133, 2011
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3WC0
 | | Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Likely histidyl tRNA-specific guanylyltransferase, MAGNESIUM ION | | Authors: | Nakamura, A, Nemoto, T, Sonoda, T, Yamashita, K, Tanaka, I, Yao, M. | | Deposit date: | 2013-05-24 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Structural basis of reverse nucleotide polymerization
Proc.Natl.Acad.Sci.USA, 110, 2013
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3WT6
 | | A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: Active vitamin D analogues with 22R-alkyl group | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-04-08 | | Release date: | 2014-06-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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3WBZ
 | | Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Likely histidyl tRNA-specific guanylyltransferase, MAGNESIUM ION | | Authors: | Nakamura, A, Nemoto, T, Sonoda, T, Yamashita, K, Tanaka, I, Yao, M. | | Deposit date: | 2013-05-24 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | Structural basis of reverse nucleotide polymerization
Proc.Natl.Acad.Sci.USA, 110, 2013
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3WT7
 | | Crystal structure of VDR-LBD complexed with 22R-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1 ,25-dihydroxyvitamin D3 | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-04-08 | | Release date: | 2014-06-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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6QHG
 | | Structure of the cap-binding domain of Rift Valley Fever virus L protein | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Gogrefe, N, Reindl, S, Gunther, S, Rosenthal, M. | | Deposit date: | 2019-01-16 | | Release date: | 2019-05-22 | | Last modified: | 2019-06-05 | | Method: | X-RAY DIFFRACTION (1.483 Å) | | Cite: | Structure of a functional cap-binding domain in Rift Valley fever virus L protein.
Plos Pathog., 15, 2019
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6GVA
 | | CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 | | Descriptor: | 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ... | | Authors: | Skerlova, J, Rezacova, P. | | Deposit date: | 2018-06-20 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models.
J.Med.Chem., 62, 2019
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7XRC
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2RMU
 | | THREE-DIMENSIONAL STRUCTURES OF DRUG-RESISTANT MUTANTS OF HUMAN RHINOVIRUS 14 | | Descriptor: | HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ... | | Authors: | Badger, J, Krishnaswamy, S, Kremer, M.J, Oliveira, M.A, Rossmann, M.G, Heinz, B.A, Rueckert, R.R, Dutko, F.J, Mckinlay, M.A. | | Deposit date: | 1988-10-03 | | Release date: | 1990-01-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Three-dimensional structures of drug-resistant mutants of human rhinovirus 14.
J.Mol.Biol., 207, 1989
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1R08
 | | STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES | | Descriptor: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-(HYDROXYETHYL OXYMETHYLENEOXYMETHYL) ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | | Authors: | Badger, J, Smith, T.J, Rossmann, M.G. | | Deposit date: | 1988-10-03 | | Release date: | 1990-01-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses.
Proteins, 6, 1989
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1R2P
 | | Solution structure of domain 5 from the ai5(gamma) group II intron | | Descriptor: | 34-MER | | Authors: | Sigel, R.K.O, Sashital, D.G, Abramovitz, D.L, Palmer III, A.G, Butcher, S.E, Pyle, A.M. | | Deposit date: | 2003-09-29 | | Release date: | 2004-02-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of domain 5 of a group II intron ribozyme reveals a new RNA motif.
Nat.Struct.Mol.Biol., 11, 2004
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4DTJ
 | | RB69 DNA Polymerase Ternary Complex with dTTP Opposite an Abasic Site and ddT/dA as the Penultimate Base-pair | | Descriptor: | CALCIUM ION, DNA polymerase, DNA primer, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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4DTO
 | | RB69 DNA Polymerase Ternary Complex with dCTP Opposite an Abasic Site and ddA/dT as the Penultimate Base-pair | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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4DTR
 | | RB69 DNA Polymerase Ternary Complex with dATP Opposite an Abasic Site and ddC/dG as the Penultimate Base-pair | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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4DTM
 | | RB69 DNA Polymerase Ternary Complex with dCTP Opposite an Abasic Site and ddG/dC as the Penultimate Base-pair | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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2XNF
 | | The Mediator Med25 activator interaction domain: Structure and cooperative binding of VP16 subdomains | | Descriptor: | MEDIATOR OF RNA POLYMERASE II TRANSCRIPTION SUBUNIT 25 | | Authors: | Vojnic, E, Mourao, A, Seizl, M, Simon, B, Wenzeck, L, Lariviere, L, Baumli, S, Meisterernst, M, Sattler, M, Cramer, P. | | Deposit date: | 2010-08-02 | | Release date: | 2011-03-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and Vp16 Binding of the Mediator Med25 Activator Interaction Domain.
Nat.Struct.Mol.Biol., 18, 2011
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5HHV
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1F6M
 | | CRYSTAL STRUCTURE OF A COMPLEX BETWEEN THIOREDOXIN REDUCTASE, THIOREDOXIN, AND THE NADP+ ANALOG, AADP+ | | Descriptor: | 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN 1, ... | | Authors: | Lennon, B.W, Williams Jr, C.H, Ludwig, M.L. | | Deposit date: | 2000-06-22 | | Release date: | 2000-08-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Twists in catalysis: alternating conformations of Escherichia coli thioredoxin reductase.
Science, 289, 2000
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2ZMI
 | | Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis for Vitamin D Receptor Antagonism and/or Partial Agonism | | Descriptor: | (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Nakabayashi, M, Yamada, S, Tanaka, T, Igarashi, M, Yoshimoto, N, Ikura, T, Ito, N, Makishima, M, Tokiwa, H, DeLuca, H.F, Shimizu, M. | | Deposit date: | 2008-04-19 | | Release date: | 2008-09-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of rat vitamin d receptor bound to adamantyl vitamin d analogs: structural basis for vitamin d receptor antagonism and partial agonism
J.Med.Chem., 51, 2008
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7Z3P
 | | Crystal structure of the mouse leptin:LepR-CRH2 encounter complex to 1.95 A resolution. | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Leptin, ... | | Authors: | Tsirigotaki, A, Verschueren, K, Savvides, S.N, Verstraete, K. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.943 Å) | | Cite: | Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
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7Z3Q
 | | Crystal structure of the human leptin:LepR-CRH2 encounter complex to 3.6 A resolution. | | Descriptor: | Leptin, Leptin receptor | | Authors: | Verstraete, K, Verschueren, K, Alexandra, T, Savvides, S.N. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.617 Å) | | Cite: | Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
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7NXJ
 | | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | | Descriptor: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | Authors: | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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7NXK
 | | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | | Descriptor: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | | Authors: | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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2ZMH
 | | Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis for Vitamin D Receptor Antagonism and/or Partial Agonism | | Descriptor: | (1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methyl-4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Yamada, S, Tanaka, T, Igarashi, M, Yoshimoto, N, Ikura, T, Ito, N, Makishima, M, Tokiwa, H, DeLuca, H.F, Shimizu, M. | | Deposit date: | 2008-04-18 | | Release date: | 2008-09-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of rat vitamin d receptor bound to adamantyl vitamin d analogs: structural basis for vitamin d receptor antagonism and partial agonism
J.Med.Chem., 51, 2008
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2ZMJ
 | | Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis for Vitamin D Receptor Antagonism and/or Partial Agonism | | Descriptor: | (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Yamada, S, Tanaka, T, Igarashi, M, Yoshimoto, N, Ikura, T, Ito, N, Makishima, M, Tokiwa, H, DeLuca, H.F, Shimizu, M. | | Deposit date: | 2008-04-19 | | Release date: | 2008-09-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structures of rat vitamin d receptor bound to adamantyl vitamin d analogs: structural basis for vitamin d receptor antagonism and partial agonism
J.Med.Chem., 51, 2008
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