6ZCH
 
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1W07
 | | Arabidopsis thaliana acyl-CoA oxidase 1 | | Descriptor: | ACYL-COA OXIDASE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Henriksen, A, Pedersen, L. | | Deposit date: | 2004-06-01 | | Release date: | 2004-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acyl-Coa Oxidase 1 from Arabidopsis Thaliana. Structure of a Key Enzyme in Plant Lipid Metabolism
J.Mol.Biol., 345, 2005
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2YEX
 | | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | | Descriptor: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | | Deposit date: | 2011-03-31 | | Release date: | 2012-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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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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2YGY
 | | Structure of wild type E. coli N-acetylneuraminic acid lyase in space group P21 crystal form II | | Descriptor: | CHLORIDE ION, N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL | | Authors: | Campeotto, I, Nelson, A, Berry, A, Phillips, S.E.V, Pearson, A.R. | | Deposit date: | 2011-04-23 | | Release date: | 2012-04-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pathological macromolecular crystallographic data affected by twinning, partial-disorder and exhibiting multiple lattices for testing of data processing and refinement tools.
Sci Rep, 8, 2018
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2YM7
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | | Deposit date: | 2011-06-06 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
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2YNX
 | | Crystal Structure of Ancestral Thioredoxin Relative to Last Archaea Common Ancestor (LACA) from the Precambrian Period | | Descriptor: | ACETATE ION, LACA THIOREDOXIN, SODIUM ION | | Authors: | Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | | Deposit date: | 2012-10-19 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
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5L4M
 | | Crystal Structure of Human Transthyretin in Complex with 3,5,6-Trichloro-2-pyridinyloxyacetic acid (Triclopyr) | | Descriptor: | SODIUM ION, Transthyretin, Triclopyr | | Authors: | Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | | Deposit date: | 2016-05-25 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.581 Å) | | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
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5KWF
 | | Joint X-ray Neutron Structure of Cholesterol Oxidase | | Descriptor: | Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Golden, E, Vrielink, A, Meilleur, F, Blakeley, M. | | Deposit date: | 2016-07-18 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (1.499 Å), X-RAY DIFFRACTION | | Cite: | An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase.
Sci Rep, 7, 2017
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2FWV
 | | Crystal Structure of Rv0813 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, hypothetical protein MtubF_01000852 | | Authors: | Shepard, W, Haouz, A, Grana, M, Buschiazzo, A, Betton, J.M, Cole, S.T, Alzari, P.M, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2006-02-03 | | Release date: | 2006-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of Rv0813c from Mycobacterium tuberculosis Reveals a New Family of Fatty Acid-Binding Protein-Like Proteins in Bacteria
J.Bacteriol., 189, 2007
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6DD4
 | | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor | | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | dos Reis, C.V, Santiago, A.S, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-05-09 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor
To Be Published
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4TWK
 | | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Octyl Glucose Neopentyl Glycol, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Tessitore, A, Goubin, S, Strain-Damerell, C, Mukhopadhyay, S, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Grieben, M, Shrestha, L, Ang, J.H, Mackenzie, A, Quigley, A, Bushell, S.R, Shintre, C.A, Faust, B, Chu, A, Dong, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P. | | Deposit date: | 2014-06-30 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
To Be Published
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2FSN
 | | Crystal structure of Ta0583, an archaeal actin homolog, complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, hypothetical protein Ta0583 | | Authors: | Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A. | | Deposit date: | 2006-01-23 | | Release date: | 2006-04-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of an archaeal actin homolog
J.Mol.Biol., 358, 2006
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5CVR
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8RXR
 | | Crystal structure of VPS34 in complex with inhibitor SB02024 | | Descriptor: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | | Deposit date: | 2024-02-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 2024
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8R88
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | Deposit date: | 2018-05-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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5D7U
 | | Crystal structure of the C-terminal domain of MMTV integrase | | Descriptor: | ISOPROPYL ALCOHOL, Pr160 | | Authors: | Cook, N.J, Pye, V.E, Ballandras-Colas, A, Engelman, A, Cherepanov, P. | | Deposit date: | 2015-08-14 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
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4TYM
 | | Crystal structure of purine nucleoside phosphorylase from Streptococcus agalactiae 2603V/R, NYSGRC Target 030935 | | Descriptor: | Purine nucleoside phosphorylase DeoD-type, SULFATE ION | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-07-08 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Crystal structure of purine nucleoside phosphorylase from Streptococcus agalactiae 2603V/R, NYSGRC Target 030935.
To Be Published
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8RFK
 | | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - single mutant pH8 | | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, Quinoprotein glucose dehydrogenase B | | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Biosci.Rep., 44, 2024
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8RE0
 | | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - double mutant pH8 | | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | | Deposit date: | 2023-12-09 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Biosci.Rep., 44, 2024
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8S4T
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8RG1
 | | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - wild type pH8 | | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Biosci.Rep., 44, 2024
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8S4S
 | | PrgE from plasmid pCF10 | | Descriptor: | POTASSIUM ION, PrgE, SULFATE ION | | Authors: | Breidenstein, A, Berntsson, R.P.-A. | | Deposit date: | 2024-02-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | PrgE: an OB-fold protein from plasmid pCF10 with striking differences to prototypical bacterial SSBs.
Life Sci Alliance, 7, 2024
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5CZ2
 | | Crystal structure of a two-domain fragment of MMTV integrase | | Descriptor: | MAGNESIUM ION, Pol polyprotein, ZINC ION | | Authors: | Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P. | | Deposit date: | 2015-07-31 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
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