6G35
 
 | | Crystal structure of haspin in complex with 5-bromotubercidin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-bromotubercidin, BROMIDE ION, ... | | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-24 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
6G8J
 | | 14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide | | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-BAL-SER-LEU-GLN, CHLORIDE ION, ... | | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | | Deposit date: | 2018-04-09 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins.
Chem.Commun.(Camb.), 55, 2019
|
|
6G39
 | | Crystal structure of haspin F605Y mutant in complex with 5-iodotubercidin | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, IODIDE ION, ... | | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-24 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
5CE6
 | | N-terminal domain of FACT complex subunit SPT16 from Cicer arietinum (chickpea) | | Descriptor: | ACETATE ION, FACT-Spt16, POTASSIUM ION, ... | | Authors: | Are, V.N, Ghosh, B, Kumar, A, Makde, R. | | Deposit date: | 2015-07-06 | | Release date: | 2016-04-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure and dynamics of Spt16N-domain of FACT complex from Cicer arietinum.
Int.J.Biol.Macromol., 88, 2016
|
|
6K8G
 | | H/D exchanged Hen egg-white lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Kita, A, Morimoto, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-17 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Hydrogen/deuterium exchange behavior in tetragonal hen egg-white lysozyme crystals affected by solution state.
J.Appl.Crystallogr., 53, 2020
|
|
6JSG
 | | Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2019-04-08 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
|
|
1AOR
 | | STRUCTURE OF A HYPERTHERMOPHILIC TUNGSTOPTERIN ENZYME, ALDEHYDE FERREDOXIN OXIDOREDUCTASE | | Descriptor: | ALDEHYDE FERREDOXIN OXIDOREDUCTASE, FE (III) ION, IRON/SULFUR CLUSTER, ... | | Authors: | Chan, M.K, Mukund, S, Kletzin, A, Adams, M.W.W, Rees, D.C. | | Deposit date: | 1995-02-13 | | Release date: | 1995-04-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a hyperthermophilic tungstopterin enzyme, aldehyde ferredoxin oxidoreductase.
Science, 267, 1995
|
|
3TFJ
 | | DMSP-dependent demethylase from P. ubique - with cofactor THF | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, ACETATE ION, GLYCEROL, ... | | Authors: | Schuller, D.J, Reisch, C.R, Moran, M.A, Whitman, W.B, Lanzilotta, W.N. | | Deposit date: | 2011-08-15 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of dimethylsulfoniopropionate-dependent demethylase from the marine organism Pelagabacter ubique.
Protein Sci., 21, 2012
|
|
5CQK
 | | Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B | | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3B, GLYCEROL, SODIUM ION, ... | | Authors: | Shi, K, Kurahashi, K, Aihara, H. | | Deposit date: | 2015-07-21 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain.
J.Biol.Chem., 290, 2015
|
|
6H10
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2018-07-10 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.104 Å) | | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073
To be published
|
|
3TFH
 | | DMSP-dependent demethylase from P. ubique - apo | | Descriptor: | GLYCEROL, GcvT-like Aminomethyltransferase protein, SODIUM ION | | Authors: | Schuller, D.J, Reisch, C.R, Moran, M.A, Whitman, W.B, Lanzilotta, W.N. | | Deposit date: | 2011-08-15 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of dimethylsulfoniopropionate-dependent demethylase from the marine organism Pelagabacter ubique.
Protein Sci., 21, 2012
|
|
6ILX
 | | Crystal structure of PETase W159F mutant from Ideonella sakaiensis | | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SODIUM ION | | Authors: | Liu, C.C, Shi, C. | | Deposit date: | 2018-10-20 | | Release date: | 2019-03-27 | | Last modified: | 2020-09-09 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and functional characterization of polyethylene terephthalate hydrolase from Ideonella sakaiensis.
Biochem. Biophys. Res. Commun., 508, 2019
|
|
6GRP
 | | Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P) | | Descriptor: | 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-06-12 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
|
|
3TF9
 | | Crystal structure of an H-NOX protein from Nostoc sp. PCC 7120 under 1 atm of xenon | | Descriptor: | Alr2278 protein, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | Authors: | Winter, M.B, Herzik Jr, M.A, Kuriyan, J, Marletta, M.A. | | Deposit date: | 2011-08-15 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5901 Å) | | Cite: | Tunnels modulate ligand flux in a heme nitric oxide/oxygen binding (H-NOX) domain.
Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3TFS
 | | Ternary complex structure of DNA polymerase beta with a gapped DNA substrate and a, b dAMP(CFH)PP in the active site: Stereoselective binding of (S) isomer | | Descriptor: | 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Chamberlain, B.T, Batra, V.K, Beard, W.A, Kadina, A.P, Shock, D.D, Kashemirov, B.A, McKenna, C.E, Goodman, M.F, Wilson, S.H. | | Deposit date: | 2011-08-16 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Stereospecific Formation of a Ternary Complex of (S)-alpha, beta-Fluoromethylene-dATP with DNA Pol beta.
Chembiochem, 13, 2012
|
|
1VBY
 | | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, and Mn2+ bound | | Descriptor: | Hepatitis Delta virus ribozyme, MANGANESE (II) ION, SODIUM ION, ... | | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | | Deposit date: | 2004-03-03 | | Release date: | 2004-05-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis
NATURE, 429, 2004
|
|
3RJH
 | | Ternary complex of DNA Polymerase Beta with a gapped DNA containing (syn)8odG:dA at primer terminus and dG:dCMP(CF2)PPin the active site | | Descriptor: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*(8OG)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | | Deposit date: | 2011-04-15 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
6G36
 | | Crystal structure of haspin in complex with 5-chlorotubercidin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-chlorotubercidin, COBALT (II) ION, ... | | Authors: | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-24 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
3R69
 | | Molecular analysis of the interaction of the HDL-receptor SR-BI with the PDZ3 domain of its adaptor protein PDZK1 | | Descriptor: | CITRIC ACID, Na(+)/H(+) exchange regulatory cofactor NHE-RF3, Scavenger receptor class B member 1 | | Authors: | Kocher, O, Birrane, G, Krieger, M. | | Deposit date: | 2011-03-21 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Identification of the PDZ3 Domain of the Adaptor Protein PDZK1 as a Second, Physiologically Functional Binding Site for the C Terminus of the High Density Lipoprotein Receptor Scavenger Receptor Class B Type I.
J.Biol.Chem., 286, 2011
|
|
3RAY
 | | Crystal structure of Methyltransferase domain of human PR domain-containing protein 11 | | Descriptor: | CHLORIDE ION, PR domain-containing protein 11, SODIUM ION, ... | | Authors: | Dong, A, Zeng, H, Loppnau, P, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-03-28 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure of Methyltransferase domain of human PR domain-containing protein 11
To be Published
|
|
3BOV
 | | Crystal structure of the receptor binding domain of mouse PD-L2 | | Descriptor: | FORMIC ACID, Programmed cell death 1 ligand 2, SODIUM ION | | Authors: | Lazar-Molnar, E, Ramagopal, U, Cao, E, Toro, R, Nathenson, S.G, Almo, S.C. | | Deposit date: | 2007-12-17 | | Release date: | 2008-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of the complex between programmed death-1 (PD-1) and its ligand PD-L2.
Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
3RC3
 | | Human Mitochondrial Helicase Suv3 | | Descriptor: | ATP-dependent RNA helicase SUPV3L1, mitochondrial, AZIDE ION, ... | | Authors: | Dauter, Z, Jedrzejczak, R, Dauter, M, Szczesny, R, Stepien, P. | | Deposit date: | 2011-03-30 | | Release date: | 2011-05-11 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Human Suv3 protein reveals unique features among SF2 helicases.
Acta Crystallogr.,Sect.D, 67, 2011
|
|
5COQ
 | | The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | Deposit date: | 2015-07-20 | | Release date: | 2015-08-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
|
|
3RJF
 | | Ternary complex of DNA Polymerase Beta with a gapped DNA containing (syn)8odG at template position paired with non-hydrolyzable dATP analog (dApCPP) | | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | | Deposit date: | 2011-04-15 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
1V75
 | | Crystal structure of hemoglobin D from the Aldabra giant tortoise (Geochelone gigantea) at 2.0 A resolution | | Descriptor: | Hemoglobin A and D beta chain, Hemoglobin D alpha chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Satoh, I, Ishikawa, K, Shishikura, F. | | Deposit date: | 2003-12-12 | | Release date: | 2003-12-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystallization and preliminary X-ray diffraction study of hemoglobin D from the Aldabra giant tortoise, Geochelone gigantea.
Protein Pept.Lett., 10, 2003
|
|
