4R56
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![BU of 4r56 by Molmil](/molmil-images/mine/4r56) | Crystal structure of Sulfolobus Cren7-dsDNA(GTGATCAC) complex | Descriptor: | Chromatin protein Cren7, DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3') | Authors: | Zhang, Z.F, Gong, Y, Chen, Y.Y, Li, H.B, Huang, L. | Deposit date: | 2014-08-20 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into the interaction between Cren7 and DNA: the role of loop beta 3-beta 4 Extremophiles, 19, 2015
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4Q2N
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4QH3
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6OPB
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6PTP
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![BU of 6ptp by Molmil](/molmil-images/mine/6ptp) | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1 | Descriptor: | HIV-1 Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide | Authors: | Kovalevsky, A, Das, A. | Deposit date: | 2019-07-16 | Release date: | 2020-06-10 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design. Acs Omega, 5, 2020
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4RFM
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![BU of 4rfm by Molmil](/molmil-images/mine/4rfm) | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | Descriptor: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | Deposit date: | 2014-09-26 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. J.Med.Chem., 58, 2015
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4QQ8
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![BU of 4qq8 by Molmil](/molmil-images/mine/4qq8) | Crystal structure of the formolase FLS in space group P 43 21 2 | Descriptor: | 1,2-ETHANEDIOL, Formolase, MAGNESIUM ION, ... | Authors: | Shen, B.W, Siegel, J.B, Stoddard, B.L. | Deposit date: | 2014-06-26 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Computational protein design enables a novel one-carbon assimilation pathway. Proc.Natl.Acad.Sci.USA, 112, 2015
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4REE
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![BU of 4ree by Molmil](/molmil-images/mine/4ree) | Crystal Structure of TR3 LBD in complex with Molecule 6 | Descriptor: | 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4P9N
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![BU of 4p9n by Molmil](/molmil-images/mine/4p9n) | Crystal structure of sshesti PE mutant | Descriptor: | Carboxylesterase | Authors: | Unno, H. | Deposit date: | 2014-04-04 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into the Low pH Adaptation of a Unique Carboxylesterase from Ferroplasma: ALTERING THE pH OPTIMA OF TWO CARBOXYLESTERASES. J.Biol.Chem., 289, 2014
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4REF
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![BU of 4ref by Molmil](/molmil-images/mine/4ref) | Crystal Structure of TR3 LBD_L449W in complex with Molecule 2 | Descriptor: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4R6F
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6VZK
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6O9X
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![BU of 6o9x by Molmil](/molmil-images/mine/6o9x) | Structure of human PARG complexed with JA2-4 | Descriptor: | 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6OA1
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![BU of 6oa1 by Molmil](/molmil-images/mine/6oa1) | Structure of human PARG complexed with JA2120 | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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4PO3
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6OKE
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4P77
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![BU of 4p77 by Molmil](/molmil-images/mine/4p77) | Structure of ribB complexed with substrate Ru5P | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL, RIBULOSE-5-PHOSPHATE | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | Deposit date: | 2014-03-26 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015
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4PNW
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![BU of 4pnw by Molmil](/molmil-images/mine/4pnw) | E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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6OA0
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![BU of 6oa0 by Molmil](/molmil-images/mine/6oa0) | Structure of human PARG complexed with JA2-9 | Descriptor: | 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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4OTT
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![BU of 4ott by Molmil](/molmil-images/mine/4ott) | Crystal structure of the gamma-glutamyltranspeptidase from Bacillus licheniformis. | Descriptor: | Gamma glutamyl transpeptidase, Gamma-glutamyltranspeptidase, MAGNESIUM ION | Authors: | Merlino, A. | Deposit date: | 2014-02-14 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Low resolution X-ray structure of gamma-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion. Biochim.Biophys.Acta, 1844, 2014
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4OVG
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![BU of 4ovg by Molmil](/molmil-images/mine/4ovg) | E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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4OX2
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6OMW
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6PT6
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![BU of 6pt6 by Molmil](/molmil-images/mine/6pt6) | Crystal structure of PsS1_NC C84S in complex with i-neocarratetraose | Descriptor: | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, exo-2S-iota carrageenan S1 sulfatase | Authors: | Hettle, A.G, Boraston, A.B. | Deposit date: | 2019-07-15 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies. Commun Biol, 2, 2019
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4RR6
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![BU of 4rr6 by Molmil](/molmil-images/mine/4rr6) | N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA (snapshot 1) | Descriptor: | Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE | Authors: | Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. | Deposit date: | 2014-11-06 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
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