4OO6
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![BU of 4oo6 by Molmil](/molmil-images/mine/4oo6) | Crystal structure of human KAP-beta2 bound to the NLS of HCC1 (Hepato Cellular Carcinoma protein 1) | Descriptor: | RNA-binding protein 39, Transportin-1 | Authors: | Sampathkumar, P, Brower, A, Soniat, M, Bonanno, J, Hillerich, B, Seidel, R.D, Rout, M.P, Chook, Y.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals) | Deposit date: | 2014-01-30 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human KAP-beta2 bound to the NLS of HCC1 (Hepato Cellular Carcinoma protein 1) to be published
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4Z06
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![BU of 4z06 by Molmil](/molmil-images/mine/4z06) | C. bescii Family 3 pectate lyase double mutant K108A/R133A in complex with ALPHA-D-GALACTOPYRANURONIC ACID | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Alahuhta, P.M, Lunin, V.V. | Deposit date: | 2015-03-25 | Release date: | 2015-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase. Acta Crystallogr.,Sect.D, 71, 2015
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4OOJ
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![BU of 4ooj by Molmil](/molmil-images/mine/4ooj) | Crystal structure of the N-terminal domain of the Legionella pneumophila protein SidC at 2.4A resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SidC, ... | Authors: | Gazdag, E.M, Shoebel, S, Shkumatov, A.V, Goody, R.S, Itzen, A. | Deposit date: | 2014-02-03 | Release date: | 2014-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of the N-terminal domain of the Legionella protein SidC J.Struct.Biol., 186, 2014
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4Z15
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![BU of 4z15 by Molmil](/molmil-images/mine/4z15) | MIF in complex with 3-(2-furylmethyl)-2-thioxo-1,3-thiazolan-4-one | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION | Authors: | Cho, T.Y. | Deposit date: | 2015-03-26 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for decreased induction of class IB PI3-kinases expression by MIF inhibitors. J. Cell. Mol. Med., 21, 2017
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4OQ2
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![BU of 4oq2 by Molmil](/molmil-images/mine/4oq2) | 5hmC specific restriction endonuclease PvuRTs1I | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Restriction endonuclease PvuRts1 I | Authors: | Kazrani, A.A, Kowalska, M, Czapinska, H, Bochtler, M. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of the 5hmC specific endonuclease PvuRts1I. Nucleic Acids Res., 42, 2014
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4OQD
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![BU of 4oqd by Molmil](/molmil-images/mine/4oqd) | Crystal structure of the tylM1 N,N-dimethyltransferase in complex with SAH and TDP-Qui3NMe2 | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, TDP-3,6-dideoxy-3-N,N-dimethylglucose, dTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase | Authors: | Thoden, J.B, Holden, H.M. | Deposit date: | 2014-02-08 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Production of a novel N-monomethylated dideoxysugar. Biochemistry, 53, 2014
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4YXW
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![BU of 4yxw by Molmil](/molmil-images/mine/4yxw) | Bovine heart mitochondrial F1-ATPase inhibited by AMP-PNP and ADP in the presence of thiophosphate. | Descriptor: | ATP synthase subunit alpha, mitochondrial, ATP synthase subunit beta, ... | Authors: | Bason, J.V, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2015-03-23 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | How release of phosphate from mammalian F1-ATPase generates a rotary substep. Proc.Natl.Acad.Sci.USA, 112, 2015
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4OR1
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![BU of 4or1 by Molmil](/molmil-images/mine/4or1) | Structure and mechanism of fibronectin binding and biofilm formation of enteroaggregative Escherischia coli AAF fimbriae | Descriptor: | ACETATE ION, Invasin homolog AafB, Major fimbrial subunit of aggregative adherence fimbria II AafA chimeric construct, ... | Authors: | Lee, W.-C, Garnett, J.A, Yang, Y, Matthews, S. | Deposit date: | 2014-02-10 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
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4YZM
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![BU of 4yzm by Molmil](/molmil-images/mine/4yzm) | Humanized Roco4 bound to LRRK2-In1 | Descriptor: | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, MAGNESIUM ION, Probable serine/threonine-protein kinase roco4 | Authors: | Gilsbach, B.K, Messias, A.C, Ito, G, Sattler, M, Alessi, D.R, Wittinghofer, A, Kortholt, A. | Deposit date: | 2015-03-25 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Characterization of LRRK2 Inhibitors. J.Med.Chem., 58, 2015
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4YZO
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![BU of 4yzo by Molmil](/molmil-images/mine/4yzo) | Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Padmanabhan, B, Manjula, R, Yokoyama, S, Bessho, Y. | Deposit date: | 2015-03-25 | Release date: | 2016-03-30 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii To Be Published
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4OIV
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![BU of 4oiv by Molmil](/molmil-images/mine/4oiv) | Structural basis for small molecule NDB as a selective antagonist of FXR | Descriptor: | Bile acid receptor, N-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide | Authors: | Xu, X, Chen, L, Hu, L, Shen, X. | Deposit date: | 2014-01-20 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Small Molecule NDB (N-Benzyl-N-(3-(tert-butyl)-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino) Benzamide) as a Selective Antagonist of Farnesoid X Receptor alpha (FXR alpha ) in Stabilizing the Homodimerization of the Receptor. J.Biol.Chem., 290, 2015
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4OJ4
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![BU of 4oj4 by Molmil](/molmil-images/mine/4oj4) | |
4ORD
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![BU of 4ord by Molmil](/molmil-images/mine/4ord) | |
4Z0O
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![BU of 4z0o by Molmil](/molmil-images/mine/4z0o) | CW-type zinc finger of ZCWPW2 with F78D mutation | Descriptor: | SODIUM ION, UNKNOWN ATOM OR ION, ZINC ION, ... | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-26 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | CW-type zinc finger of ZCWPW2 with F78D mutation To be Published
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4Z1A
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![BU of 4z1a by Molmil](/molmil-images/mine/4z1a) | Structure of apo form KDO8PS from H.pylori | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase | Authors: | Lee, B.J, Cho, S, Im, H, Yoon, H.J. | Deposit date: | 2015-03-27 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS). Eur.J.Med.Chem., 108, 2016
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4OJB
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![BU of 4ojb by Molmil](/molmil-images/mine/4ojb) | Crystal structure of W741L-AR-LBD | Descriptor: | Androgen receptor, R-BICALUTAMIDE | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-21 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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4Z0R
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![BU of 4z0r by Molmil](/molmil-images/mine/4z0r) | Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide | Descriptor: | 1,2-ETHANEDIOL, Histone H3.1, SULFATE ION, ... | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-26 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide To be Published
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4Z1E
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![BU of 4z1e by Molmil](/molmil-images/mine/4z1e) | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | Descriptor: | 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium, Carbonic anhydrase 2, ZINC ION | Authors: | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | Deposit date: | 2015-03-27 | Release date: | 2015-08-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur.J.Med.Chem., 102, 2015
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4OJM
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![BU of 4ojm by Molmil](/molmil-images/mine/4ojm) | |
4OJR
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![BU of 4ojr by Molmil](/molmil-images/mine/4ojr) | Crystal Structure of the HIV-1 Integrase catalytic domain with GSK1264 | Descriptor: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, CACODYLATE ION, HIV-1 Integrase, ... | Authors: | Gupta, K, Brady, T, Dyer, B, Hwang, Y, Male, F, Nolte, R.T, Wang, L, Velthuisen, E, Jeffrey, J, Van Duyne, G, Bushman, F.D. | Deposit date: | 2014-01-21 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Allosteric Inhibition of Human Immunodeficiency Virus Integrase: LATE BLOCK DURING VIRAL REPLICATION AND ABNORMAL MULTIMERIZATION INVOLVING SPECIFIC PROTEIN DOMAINS. J.Biol.Chem., 289, 2014
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4Z1T
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![BU of 4z1t by Molmil](/molmil-images/mine/4z1t) | |
4OTE
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![BU of 4ote by Molmil](/molmil-images/mine/4ote) | |
4Z1Q
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![BU of 4z1q by Molmil](/molmil-images/mine/4z1q) | Crystal structure of the first bromodomain of human BRD4 bound to benzotriazolo-diazepine scaffold | Descriptor: | 5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine, Bromodomain-containing protein 4 | Authors: | Setser, J.W, Poy, F, Tang, Y, Bellon, S.F. | Deposit date: | 2015-03-27 | Release date: | 2015-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains. Acs Med.Chem.Lett., 7, 2016
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4OJX
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![BU of 4ojx by Molmil](/molmil-images/mine/4ojx) | crystal structure of yeast phosphodiesterase-1 in complex with GMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | Deposit date: | 2014-01-21 | Release date: | 2014-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate. Biochemistry, 53, 2014
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4Z1Z
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![BU of 4z1z by Molmil](/molmil-images/mine/4z1z) | |