6NSL
| CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE | Descriptor: | 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | Authors: | Muckelbauer, J.M, Khan, J.A. | Deposit date: | 2019-01-25 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6NX1
| STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion | Authors: | Khan, J.A. | Deposit date: | 2019-02-07 | Release date: | 2020-02-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists. Acs Med.Chem.Lett., 10, 2019
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6NZR
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6NZQ
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6NZP
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5FTA
| Crystal structure of the N-terminal BTB domain of human KCTD10 | Descriptor: | BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 3, MERCURY (II) ION | Authors: | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Tallant, C, Newman, J.A, Kopec, J, Fitzpatrick, F, Talon, R, Collins, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2016-01-12 | Release date: | 2016-02-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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2YER
| Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | Descriptor: | 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. | Deposit date: | 2011-03-30 | Release date: | 2012-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2EIP
| INORGANIC PYROPHOSPHATASE | Descriptor: | SOLUBLE INORGANIC PYROPHOSPHATASE | Authors: | Kankare, J.A, Salminen, T, Goldman, A. | Deposit date: | 1996-01-10 | Release date: | 1996-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Escherichia coli inorganic pyrophosphatase at 2.2 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
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6OX0
| SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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2CHB
| CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE | Descriptor: | CHOLERA TOXIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 1997-06-03 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of receptor binding by cholera toxin mutants. Protein Sci., 6, 1997
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3APR
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2BPY
| HIV-1 protease-inhibitor complex | Descriptor: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BPX
| HIV-1 protease-inhibitor complex | Descriptor: | HIV-1 PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BMH
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2BPZ
| HIV-1 protease-inhibitor complex | Descriptor: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BPW
| HIV-1 protease-inhibitor complex | Descriptor: | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE, HIV-1 PROTEASE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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3B3K
| Crystal structure of the complex between PPARgamma and the full agonist LT175 | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | Deposit date: | 2007-10-22 | Release date: | 2008-10-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design J.Med.Chem., 51, 2008
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5ET2
| Lambda-Ru(TAP)2(dppz)]2+ bound to d(TTGGCGCCAA) | Descriptor: | BARIUM ION, DNA (5'-D(*(THM)P*TP*GP*GP*CP*GP*CP*CP*AP*A)-3'), Ru(tap)2(dppz) complex | Authors: | Hall, J.P, Cardin, C.J. | Deposit date: | 2015-11-17 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Inosine Can Increase DNA's Susceptibility to Photo-oxidation by a Ru(II) Complex due to Structural Change in the Minor Groove. Chemistry, 23, 2017
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6OX3
| SETD3 in Complex with an Actin Peptide with His73 Replaced with Lysine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX1
| SETD3 in Complex with an Actin Peptide with Target Histidine Partially Methylated | Descriptor: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX4
| A SETD3 Mutant (N255A) in Complex with an Actin Peptide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX5
| A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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6OX2
| SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2019-05-13 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Structural basis for the target specificity of actin histidine methyltransferase SETD3. Nat Commun, 10, 2019
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3C2G
| Crystal complex of SYS-1/POP-1 at 2.5A resolution | Descriptor: | Pop-1 8-residue peptide, Sys-1 protein | Authors: | Liu, J, Phillips, B.T, Amaya, M.F, Kimble, J, Xu, W. | Deposit date: | 2008-01-24 | Release date: | 2008-05-20 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The C. elegans SYS-1 protein is a bona fide beta-catenin. Dev.Cell, 14, 2008
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3C2H
| Crystal Structure of SYS-1 at 2.6A resolution | Descriptor: | CITRATE ANION, GLYCEROL, Sys-1 protein | Authors: | Liu, J, Phillips, B.T, Amaya, M.F, Kimble, J, Xu, W. | Deposit date: | 2008-01-25 | Release date: | 2008-05-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The C. elegans SYS-1 protein is a bona fide beta-catenin. Dev.Cell, 14, 2008
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