4UGF
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![BU of 4ugf by Molmil](/molmil-images/mine/4ugf) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl) pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4CXU
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![BU of 4cxu by Molmil](/molmil-images/mine/4cxu) | G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with 3-Br-Phenolphenylphosphonate | Descriptor: | 3-bromophenyl hydrogen (S)-phenylphosphonate, ARYLSULFATASE, CALCIUM ION | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-08 | Release date: | 2015-04-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4D3V
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4D0L
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![BU of 4d0l by Molmil](/molmil-images/mine/4d0l) | Phosphatidylinositol 4-kinase III beta-PIK93 in a complex with Rab11a- GTP gammaS | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, ... | Authors: | Burke, J.E, Inglis, A.J, Perisic, O, Masson, G.R, McLaughin, S.H, Rutaganira, F, Shokat, K.M, Williams, R.L. | Deposit date: | 2014-04-29 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structures of Pi4Kiiibeta Complexes Show Simultaneous Recruitment of Rab11 and its Effectors. Science, 344, 2014
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4D6C
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![BU of 4d6c by Molmil](/molmil-images/mine/4d6c) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98)(L19 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D3M
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4CSV
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![BU of 4csv by Molmil](/molmil-images/mine/4csv) | Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR | Authors: | Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D. | Deposit date: | 2014-03-10 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism. Science, 347, 2015
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4CZ2
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![BU of 4cz2 by Molmil](/molmil-images/mine/4cz2) | Complex of human VARP-ANKRD1 with Rab32-GppCp. Selenomet derivative. | Descriptor: | ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Perez-Dorado, I, Schaefer, I.B, McCoy, A.J, Owen, D.J, Evans, P.R. | Deposit date: | 2014-04-16 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Varp is Recruited on to Endosomes by Direct Interaction with Retromer, Where Together They Function in Export to the Cell Surface. Dev.Cell, 29, 2014
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4CZ9
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4D0C
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![BU of 4d0c by Molmil](/molmil-images/mine/4d0c) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, 10MER PEPTIDE, BETA-2-MICROGLOBULIN, ... | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4D03
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![BU of 4d03 by Molmil](/molmil-images/mine/4d03) | Structure of the Cys65Asp mutant of phenylacetone monooxygenase: oxidised state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Brondani, P.B, Dudek, H.M, Martinoli, C, Mattevi, A, Fraaije, M.W. | Deposit date: | 2014-04-24 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Finding the Switch: Turning a Baeyer-Villiger Monooxygenase Into a Nadph Oxidase. J.Am.Chem.Soc., 136, 2014
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4D2N
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4D3J
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![BU of 4d3j by Molmil](/molmil-images/mine/4d3j) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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8HWO
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4D7U
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![BU of 4d7u by Molmil](/molmil-images/mine/4d7u) | The structure of the catalytic domain of NcLPMO9C from the filamentous fungus Neurospora crassa | Descriptor: | COPPER (II) ION, ENDOGLUCANASE II, GLYCEROL | Authors: | Borisova, A.S, Isaksen, T, Mathiesen, G, Sorlie, M, Sandgren, M, Eijsink, V.G.H, Dimarogona, M. | Deposit date: | 2014-11-27 | Release date: | 2015-07-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and Functional Characterization of a Lytic Polysaccharide Monooxygenase with Broad Substrate Specificity J.Biol.Chem., 290, 2015
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4CNS
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![BU of 4cns by Molmil](/molmil-images/mine/4cns) | Crystal structure of truncated human CRMP-4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ponnusamy, R, Lohkamp, B. | Deposit date: | 2014-01-24 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Human Crmp-4: Correction of Intensities for Lattice-Translocation Disorder Acta Crystallogr.,Sect.D, 70, 2014
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4CRH
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![BU of 4crh by Molmil](/molmil-images/mine/4crh) | Crystal structure of the BTB-T1 domain of human SHKBP1 | Descriptor: | SH3KBP1-BINDING PROTEIN 1 | Authors: | Pinkas, D.M, Solcan, N, Krojer, T, Goubin, S, Williams, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-02-26 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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4CVA
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![BU of 4cva by Molmil](/molmil-images/mine/4cva) | MPS1 kinase with 3-aminopyridin-2-one inhibitors | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | Deposit date: | 2014-03-24 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition To be Published
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4CVZ
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![BU of 4cvz by Molmil](/molmil-images/mine/4cvz) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B21, ... | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-03-31 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4CXA
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![BU of 4cxa by Molmil](/molmil-images/mine/4cxa) | Crystal structure of the human CDK12-cyclin K complex bound to AMPPNP | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Nowak, R, Goubin, S, Mahajan, R.P, Kopec, J, Froese, S, Tallant, C, Carpenter, E.P, Mackenzie, A, Faust, B, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-04-04 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding. Sci.Rep., 5, 2015
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4CYM
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![BU of 4cym by Molmil](/molmil-images/mine/4cym) | Complex of human VARP-ANKRD1 with Rab32-GppCp | Descriptor: | ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Perez-Dorado, I, Schaefer, I.B, McCoy, A.J, Owen, D.J, Evans, P.R. | Deposit date: | 2014-04-13 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Varp is Recruited on to Endosomes by Direct Interaction with Retromer, Where Together They Function in Export to the Cell Surface. Dev.Cell, 29, 2014
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4CXN
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![BU of 4cxn by Molmil](/molmil-images/mine/4cxn) | Crystal structure of human insulin analogue (NMe-AlaB8)-insulin crystal form I | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN | Authors: | Kosinova, L, Veverka, V, Novotna, P, Collinsova, M, Urbanova, M, Jiracek, J, Moody, N.R, Turkenburg, J.P, Brzozowski, A.M, Zakova, L. | Deposit date: | 2014-04-07 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Insight Into Structural and Biological Relevance of the T/R Transition of the B-Chain N-Terminus in Human Insulin. Biochemistry, 53, 2014
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4D1Y
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![BU of 4d1y by Molmil](/molmil-images/mine/4d1y) | Crystal structure of a putative protease from Bacteroides thetaiotaomicron. | Descriptor: | PUTATIVE PROTEASE I, RIBOFLAVIN, ZINC ION | Authors: | Knaus, T, Uhl, M.K, Monschein, S, Moratti, S, Gruber, K, Macheroux, P. | Deposit date: | 2014-05-05 | Release date: | 2014-10-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Stability of an Unusual Zinc-Binding Protein from Bacteroides Thetaiotaomicron. Biochim.Biophys.Acta, 1844, 2014
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4CKN
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4D3K
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![BU of 4d3k by Molmil](/molmil-images/mine/4d3k) | Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.017 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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