3NYV
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3V1C
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![BU of 3v1c by Molmil](/molmil-images/mine/3v1c) | Crystal structure of de novo designed MID1-zinc | Descriptor: | Computational design, MID1-zinc, L(+)-TARTARIC ACID, ... | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.129 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3V1L
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3V2J
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3UO6
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![BU of 3uo6 by Molmil](/molmil-images/mine/3uo6) | Aurora A in complex with YL5-083 | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8002 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3NYA
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![BU of 3nya by Molmil](/molmil-images/mine/3nya) | Crystal structure of the human beta2 adrenergic receptor in complex with the neutral antagonist alprenolol | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor, Lysozyme, ... | Authors: | Brown, M.A, Wacker, D, Fenalti, G, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2010-07-14 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography J.Am.Chem.Soc., 132, 2010
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3UOJ
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![BU of 3uoj by Molmil](/molmil-images/mine/3uoj) | Aurora A in complex with RPM1715 | Descriptor: | 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9003 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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3NZN
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![BU of 3nzn by Molmil](/molmil-images/mine/3nzn) | The crystal structure of the Glutaredoxin from Methanosarcina mazei Go1 | Descriptor: | GLYCEROL, Glutaredoxin, SULFATE ION | Authors: | Zhang, R, Wu, R, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-07-16 | Release date: | 2010-07-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The crystal structure of the Glutaredoxin from Methanosarcina mazei Go1 To be Published
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3OM7
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![BU of 3om7 by Molmil](/molmil-images/mine/3om7) | Crystal structure of B. megaterium levansucrase mutant Y247W | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Levansucrase, ... | Authors: | Strube, C.P, Homann, A, Gamer, M, Jahn, D, Seibel, J, Heinz, D.W. | Deposit date: | 2010-08-26 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs. J.Biol.Chem., 286, 2011
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3OQB
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![BU of 3oqb by Molmil](/molmil-images/mine/3oqb) | CRYSTAL STRUCTURE OF putative oxidoreductase from Bradyrhizobium japonicum USDA 110 | Descriptor: | Oxidoreductase | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-09-02 | Release date: | 2010-09-15 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CRYSTAL STRUCTURE OF putative oxidoreductase from Bradyrhizobium japonicum USDA 110 To be Published
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3OUS
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![BU of 3ous by Molmil](/molmil-images/mine/3ous) | MthK channel pore T59A mutant | Descriptor: | Calcium-gated potassium channel mthK, POTASSIUM ION | Authors: | Derebe, M.G, Sauer, D.B, Zeng, W, Alam, A, Shi, N, Jiang, Y. | Deposit date: | 2010-09-15 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Tuning the ion selectivity of tetrameric cation channels by changing the number of ion binding sites. Proc.Natl.Acad.Sci.USA, 108, 2011
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3OSE
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4AJ4
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![BU of 4aj4 by Molmil](/molmil-images/mine/4aj4) | rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid | Descriptor: | 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G. | Deposit date: | 2012-02-15 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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3P1N
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![BU of 3p1n by Molmil](/molmil-images/mine/3p1n) | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ... | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | Deposit date: | 2010-09-30 | Release date: | 2011-10-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface Chem. Biol., 20, 2013
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3OXB
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3P32
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4A07
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![BU of 4a07 by Molmil](/molmil-images/mine/4a07) | Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the PIF-Pocket | Descriptor: | (3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
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4A06
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![BU of 4a06 by Molmil](/molmil-images/mine/4a06) | Human PDK1 Kinase Domain in Complex with Allosteric Activator PS114 Bound to the PIF-Pocket | Descriptor: | (3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Lopez-Garcia, L.A, Froehner, W, Zhang, H, Navratil, J, Hindie, V, Zeuzem, S, Alzari, P.M, Neimanis, S, Engel, M, Biondi, R.M. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric Regulation of Protein Kinase Pkczeta by the N-Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol., 18, 2011
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3P7K
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4A30
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![BU of 4a30 by Molmil](/molmil-images/mine/4a30) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 4-BROMO-2,6-DICHLORO-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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4A6G
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![BU of 4a6g by Molmil](/molmil-images/mine/4a6g) | N-acyl amino acid racemase from Amycalotopsis sp. Ts-1-60: G291D- F323Y mutant in complex with N-acetyl methionine | Descriptor: | MAGNESIUM ION, N-ACETYLMETHIONINE, N-ACYLAMINO ACID RACEMASE | Authors: | Baxter, S, Royer, S, Grogan, G, Holt-Tiffin, K.E, Taylor, I.N, Fotheringham, I.G, Campopiano, D.J. | Deposit date: | 2011-11-02 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | An Improved Racemase/Acylase Biotransformation for the Preparation of Enantiomerically Pure Amino Acids. J.Am.Chem.Soc., 134, 2012
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4A02
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![BU of 4a02 by Molmil](/molmil-images/mine/4a02) | X-ray crystallographic structure of EfCBM33A | Descriptor: | CHITIN BINDING PROTEIN | Authors: | Vaaje-Kolstad, G, Bohle, L.A, Gaseidnes, S, Dalhus, B, Bjoras, M, Mathiesen, G, Eijsink, V.G.H. | Deposit date: | 2011-09-07 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Characterization of the Chitinolytic Machinery of Enterococcus Faecalis V583 and High Resolution Structure of its Oxidative Cbm33 Enzyme J.Mol.Biol., 416, 2012
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3WD0
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![BU of 3wd0 by Molmil](/molmil-images/mine/3wd0) | Serratia marcescens Chitinase B, tetragonal form | Descriptor: | Chitinase B, DITHIANE DIOL, GLYCEROL, ... | Authors: | Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T. | Deposit date: | 2013-06-06 | Release date: | 2013-09-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor Proc.Natl.Acad.Sci.USA, 110, 2013
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3OQV
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![BU of 3oqv by Molmil](/molmil-images/mine/3oqv) | AlbC, a cyclodipeptide synthase from Streptomyces noursei | Descriptor: | AlbC, DITHIANE DIOL, PHOSPHATE ION | Authors: | Sauguet, L, Ledu, M.H, Charbonnier, J.B, Gondry, M. | Deposit date: | 2010-09-04 | Release date: | 2011-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cyclodipeptide synthases, a family of class-I aminoacyl-tRNA synthetase-like enzymes involved in non-ribosomal peptide synthesis. Nucleic Acids Res., 39, 2011
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3ORT
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![BU of 3ort by Molmil](/molmil-images/mine/3ort) | Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 6) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase | Authors: | Good, M.C, Echols, N, Lombana, T.N, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-09-07 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB Structure, 18, 2010
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