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6NKZ	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma methylene dGTP Descriptor: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*TP*(2DT))-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
2ORH	Directing Macromolecular Conformation Through Halogen Bonds Descriptor: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(DU)P*CP*GP*G)-3'), SODIUM ION Authors: Voth, A.R, Hays, F.A, Ho, P.S. Deposit date: 2007-02-02 Release date: 2007-03-27 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Directing macromolecular conformation through halogen bonds. Proc.Natl.Acad.Sci.Usa, 104, 2007
5MIM	Xray structure of human furin bound with the 2,5-dideoxystreptamine derived small molecule inhibitor 1n Descriptor: 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine, CALCIUM ION, CHLORIDE ION, ... Authors: Dahms, S.O, Guan-Sheng, J, Than, M.E. Deposit date: 2016-11-28 Release date: 2017-05-10 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Studies Revealed Active Site Distortions of Human Furin by a Small Molecule Inhibitor. ACS Chem. Biol., 12, 2017
6TTK	Crystal structure of the kelch domain of human KLHL12 in complex with DVL1 peptide Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DVL1, ... Authors: Chen, Z, Williams, E, Pike, A.C.W, Strain-Damerell, C, Wang, D, Chalk, R, Burgess-Brown, N, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. Deposit date: 2019-12-27 Release date: 2020-02-12 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.383 Å) Cite: Identification of a PGXPP degron motif in dishevelled and structural basis for its binding to the E3 ligase KLHL12. Open Biology, 10, 2020
6NAX	Olfactomedin domain of mouse myocilin Descriptor: CALCIUM ION, GLYCEROL, Myocilin, ... Authors: Patterson-Orazem, A.C, Hill, S.E, Lieberman, R.L. Deposit date: 2018-12-06 Release date: 2019-03-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.551 Å) Cite: Differential Misfolding Properties of Glaucoma-Associated Olfactomedin Domains from Humans and Mice. Biochemistry, 58, 2019
4H4I	OYE1-W116V complexed with the dismutation product of (S)-carvone Descriptor: 2-methyl-5-(prop-1-en-2-yl)phenol, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... Authors: Pompeu, Y.A, Stewart, J.D. Deposit date: 2012-09-17 Release date: 2013-10-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.25 Å) Cite: X-ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase ACS CATALYSIS, 3, 2013
420D	CRYSTAL STRUCTURE OF A 16-MER RNA DUPLEX WITH NON-ADJACENT A(ANTI).G(SYN) MISMATCHES Descriptor: RNA (5'-R(*GP*CP*AP*GP*AP*GP*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3'), SODIUM ION Authors: Pan, B, Mitra, S.N, Sundaralingam, M. Deposit date: 1998-08-13 Release date: 1999-01-13 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of an RNA 16-mer duplex R(GCAGAGUUAAAUCUGC)2 with nonadjacent G(syn).A+(anti) mispairs. Biochemistry, 38, 1999
6NKX	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with dGTP Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
5NDH	The structure of the G. violaceus guanidine II riboswitch P2 stem-loop Descriptor: GUANIDINE, MAGNESIUM ION, RNA (5'-R(*GP*(CBV)P*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*GP*C)-3'), ... Authors: Huang, L, Wang, J, Lilley, D.M.J. Deposit date: 2017-03-08 Release date: 2017-05-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.81 Å) Cite: The Structure of the Guanidine-II Riboswitch. Cell Chem Biol, 24, 2017
6PUI	Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U Descriptor: 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ... Authors: Awad, W, Keller, A.N, Rossjohn, J. Deposit date: 2019-07-18 Release date: 2020-02-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.96 Å) Cite: The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
2HB6	Structure of Caenorhabditis elegans leucine aminopeptidase (LAP1) Descriptor: GLYCEROL, Leucine aminopeptidase 1, SODIUM ION, ... Authors: Patskovsky, Y, Zhan, C, Wengerter, B.C, Ramagopal, U, Milstein, S, Vidal, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2006-06-13 Release date: 2006-08-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of Caenorhabditis Elegans Leucine Aminopeptidase To be Published
6NKY	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CHF analogue of dGTP Descriptor: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.094 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
5LV2	Crystal structure of mouse CARM1 in complex with inhibitor LH1246 Descriptor: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... Authors: Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. Deposit date: 2016-09-12 Release date: 2017-09-20 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
6NKV	Ternary complex crystal structure of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CHF analogue of dGTP Descriptor: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
6Q9S	HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid, Protein Mdm4, ... Authors: Kallen, J. Deposit date: 2018-12-18 Release date: 2019-05-15 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
4Y8F	Crystal structure of Triosephosphate Isomerase from Clostridium perfringens Descriptor: ACETATE ION, SODIUM ION, Triosephosphate Isomerase Authors: Romero-Romero, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A. Deposit date: 2015-02-16 Release date: 2015-07-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins. Phys Chem Chem Phys, 17, 2015
4Y90	Crystal structure of Triosephosphate Isomerase from Deinococcus radiodurans Descriptor: CALCIUM ION, GLYCEROL, SODIUM ION, ... Authors: Romero-Romero, S, Rodriguez-Romero, A, Fernadez-Velasco, D.A. Deposit date: 2015-02-16 Release date: 2015-07-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins. Phys Chem Chem Phys, 17, 2015
6QDR	Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... Authors: Andrei, S.A, Kaplan, A, Fournier, A.E, Ottman, C. Deposit date: 2019-01-02 Release date: 2020-01-29 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.615 Å) Cite: Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth. Cell Chem Biol, 27, 2020
2HEE	CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY Descriptor: LYSOZYME, SODIUM ION Authors: Takano, K, Funahashi, J, Yamagata, Y, Fujii, S, Yutani, K. Deposit date: 1997-09-16 Release date: 1998-01-14 Last modified: 2021-11-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Contribution of water molecules in the interior of a protein to the conformational stability. J.Mol.Biol., 274, 1997
5NJF	E. coli Microcin-processing metalloprotease TldD/E (TldD H262A mutant) with pentapeptide bound Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALA-ALA-ALA-ALA-ALA, ... Authors: Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. Deposit date: 2017-03-28 Release date: 2017-10-04 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.42 Å) Cite: The Origins of Specificity in the Microcin-Processing Protease TldD/E. Structure, 25, 2017
6LP6	Crystal structure of human DHODH in complex with inhibitor 1214 Descriptor: 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... Authors: Chen, Q, Yu, Y. Deposit date: 2020-01-09 Release date: 2020-09-30 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.795 Å) Cite: Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
2PNK	CRYSTAL STRUCTURE OF AN URONATE ISOMERASE (BH0493) FROM BACILLUS HALODURANS C-125 AT 2.00 A RESOLUTION Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BH0493 protein, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2007-04-24 Release date: 2007-05-08 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of uncharacterized protein (NP_241359.1) from Bacillus halodurans at 2.00 A resolution To be published
5NJC	E. coli Microcin-processing metalloprotease TldD/E (TldD E263A mutant) with hexapeptide bound Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Metalloprotease PmbA, ... Authors: Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. Deposit date: 2017-03-28 Release date: 2017-10-04 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.35 Å) Cite: The Origins of Specificity in the Microcin-Processing Protease TldD/E. Structure, 25, 2017
4YB8	Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... Authors: Weisse, R.H.-J, Scheidig, A.J. Deposit date: 2015-02-18 Release date: 2016-01-27 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer. Proc.Natl.Acad.Sci.USA, 113, 2016
4YD2	Nicked complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ... Authors: Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K. Deposit date: 2015-02-20 Release date: 2015-08-05 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.471 Å) Cite: Creative template-dependent synthesis by human polymerase mu. Proc.Natl.Acad.Sci.USA, 112, 2015

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