4EP2
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![BU of 4ep2 by Molmil](/molmil-images/mine/4ep2) | Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate RT-RH | Descriptor: | GLYCEROL, PHOSPHATE ION, protease, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-04-16 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci., 21, 2012
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4EDS
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2NQA
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![BU of 2nqa by Molmil](/molmil-images/mine/2nqa) | Catalytic Domain of Human Calpain 8 | Descriptor: | CALCIUM ION, Calpain-8, Leupeptin Inhibitor | Authors: | Davis, T.L, Paramanathan, R, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-10-30 | Release date: | 2006-11-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Human Calpain 8 To be Published
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4EQU
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![BU of 4equ by Molmil](/molmil-images/mine/4equ) | Human STK-10 (LOK) kinase domain in DFG-out conformation with inhibitor DSA-7 | Descriptor: | CALCIUM ION, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide, PENTAETHYLENE GLYCOL, ... | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2012-04-19 | Release date: | 2012-11-07 | Last modified: | 2012-12-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Affinity-Based Probes Based on Type II Kinase Inhibitors. J.Am.Chem.Soc., 134, 2012
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4ER5
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![BU of 4er5 by Molmil](/molmil-images/mine/4er5) | Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 | Descriptor: | 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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3F6P
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![BU of 3f6p by Molmil](/molmil-images/mine/3f6p) | Crystal Structure of unphosphorelated receiver domain of YycF | Descriptor: | Transcriptional regulatory protein yycF | Authors: | Zhao, H, Tang, L. | Deposit date: | 2008-11-06 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Preliminary crystallographic studies of the regulatory domain of response regulator YycF from an essential two-component signal transduction system. Acta Crystallogr.,Sect.F, 65, 2009
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4HIB
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![BU of 4hib by Molmil](/molmil-images/mine/4hib) | Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N4-OH | Descriptor: | CHLORIDE ION, GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ... | Authors: | To, T.K, Kotra, L.P, Pai, E.F. | Deposit date: | 2012-10-11 | Release date: | 2012-11-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist. J.Med.Chem., 55, 2012
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4HHY
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![BU of 4hhy by Molmil](/molmil-images/mine/4hhy) | Crystal structure of PARP catalytic domain in complex with novel inhibitors | Descriptor: | (9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one, DI(HYDROXYETHYL)ETHER, Poly [ADP-ribose] polymerase 1, ... | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-10-10 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3637 Å) | Cite: | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors. J.Med.Chem., 56, 2013
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3F7J
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![BU of 3f7j by Molmil](/molmil-images/mine/3f7j) | B.subtilis YvgN | Descriptor: | NITRATE ION, POTASSIUM ION, YvgN protein | Authors: | Zhou, Y.F, Lei, J, Liang, Y.H, Su, X.-D. | Deposit date: | 2008-11-09 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis Protein Sci., 18, 2009
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3SXH
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![BU of 3sxh by Molmil](/molmil-images/mine/3sxh) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92AL103A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2011-07-14 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92AL103A at cryogenic temperature To be Published
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3FOO
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4HIK
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4HJ1
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4HK9
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![BU of 4hk9 by Molmil](/molmil-images/mine/4hk9) | Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A) | Descriptor: | Endo-1,4-beta-xylanase 2, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | Deposit date: | 2012-10-15 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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3T0L
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4ETX
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3FB3
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![BU of 3fb3 by Molmil](/molmil-images/mine/3fb3) | Crystal Structure of Trypanosoma Brucei Acetyltransferase, Tb11.01.2886 | Descriptor: | N-acetyltransferase | Authors: | Wernimont, A.K, Marino, K, Zhang, A.Z, Ma, D, Lin, Y.H, MacKenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2008-11-18 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of Trypanosoma Brucei Acetyltransferase, Tb11.01.2886 TO BE PUBLISHED
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4EU9
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4EUV
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![BU of 4euv by Molmil](/molmil-images/mine/4euv) | Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1, in complex with c-di-GMP, form 1 | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), PelD | Authors: | Li, Z, Chen, J, Nair, S.K. | Deposit date: | 2012-04-25 | Release date: | 2012-07-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1. J.Biol.Chem., 287, 2012
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3EXB
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4I40
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![BU of 4i40 by Molmil](/molmil-images/mine/4i40) | crystal structure of Staphylococcal inositol monophosphatase-1: 50mM LiCl inhibited complex | Descriptor: | GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... | Authors: | Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K. | Deposit date: | 2012-11-27 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase. Febs J., 281, 2014
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3FD4
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3FD7
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![BU of 3fd7 by Molmil](/molmil-images/mine/3fd7) | Crystal structure of Onconase C87A/C104A-ONC | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein P-30, ... | Authors: | Neumann, P, Schulenburg, C, Arnold, U, Ulbrich-Hofmann, R, Stubbs, M.T. | Deposit date: | 2008-11-25 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.531 Å) | Cite: | Impact of the C-terminal disulfide bond on the folding and stability of onconase. Chembiochem, 11, 2010
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3T28
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![BU of 3t28 by Molmil](/molmil-images/mine/3t28) | TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Cahn, J, Venkat, M, Saxby, S, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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2NO4
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![BU of 2no4 by Molmil](/molmil-images/mine/2no4) | Crystal Structure analysis of a Dehalogenase | Descriptor: | (S)-2-haloacid dehalogenase IVA, CHLORIDE ION, SULFATE ION | Authors: | Schmidberger, J.W, Wilce, M.C.J. | Deposit date: | 2006-10-24 | Release date: | 2007-09-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structures of the substrate free-enzyme, and reaction intermediate of the HAD superfamily member, haloacid dehalogenase DehIVa from Burkholderia cepacia MBA4 J.Mol.Biol., 368, 2007
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