2XFJ
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![BU of 2xfj by Molmil](/molmil-images/mine/2xfj) | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2010-05-24 | Release date: | 2010-07-07 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
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2KKF
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![BU of 2kkf by Molmil](/molmil-images/mine/2kkf) | Solution structure of MLL CXXC domain in complex with palindromic CPG DNA | Descriptor: | 5'-D(*CP*CP*CP*TP*GP*CP*GP*CP*AP*GP*GP*G)-3', Histone-lysine N-methyltransferase HRX, ZINC ION | Authors: | Cierpicki, T, Riesbeck, J.E, Grembecka, J.E, Lukasik, S.M, Popovic, R, Omonkowska, M, Shultis, D.S, Zeleznik-Le, N.J, Bushweller, J.H. | Deposit date: | 2009-06-18 | Release date: | 2009-12-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the MLL CXXC domain-DNA complex and its functional role in MLL-AF9 leukemia. Nat.Struct.Mol.Biol., 17, 2010
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2KLU
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2ZHJ
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2KK1
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![BU of 2kk1 by Molmil](/molmil-images/mine/2kk1) | Solution structure of C-terminal Domain of Tyrosine-protein kinase ABL2 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) target HR5537A | Descriptor: | Tyrosine-protein kinase ABL2 | Authors: | Liu, G, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-06-14 | Release date: | 2009-08-11 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | NMR structure of F-actin-binding domain of Arg/Abl2 from Homo sapiens. Proteins, 78, 2010
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2K5B
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![BU of 2k5b by Molmil](/molmil-images/mine/2k5b) | Human CDC37-HSP90 docking model based on NMR | Descriptor: | Heat shock protein HSP 90-alpha, Hsp90 co-chaperone Cdc37 | Authors: | Sreeramulu, S, Jonker, H.R.A, Lancaster, C.R, Richter, C, Langer, T, Schwalbe, H. | Deposit date: | 2008-06-26 | Release date: | 2008-12-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The human Cdc37.Hsp90 complex studied by heteronuclear NMR spectroscopy J.Biol.Chem., 284, 2009
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2ZRS
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![BU of 2zrs by Molmil](/molmil-images/mine/2zrs) | Crystal structure of Ca2+-bound form of des3-23ALG-2 | Descriptor: | CALCIUM ION, Programmed cell death protein 6 | Authors: | Suzuki, H, Kawasaki, M, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M. | Deposit date: | 2008-09-01 | Release date: | 2008-11-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2 ACTA CRYSTALLOGR.,SECT.F, 64, 2008
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2K6M
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2KOM
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![BU of 2kom by Molmil](/molmil-images/mine/2kom) | Solution structure of humar Par-3b PDZ2 (residues 451-549) | Descriptor: | Partitioning defective 3 homolog | Authors: | Volkman, B.F, Tyler, R.C, Peterson, F.C, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2009-09-24 | Release date: | 2009-11-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Rapid, robotic, small-scale protein production for NMR screening and structure determination. Protein Sci., 19, 2010
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2ZG0
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![BU of 2zg0 by Molmil](/molmil-images/mine/2zg0) | Exploring thrombin S3 pocket | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide, Hirudin, SODIUM ION, ... | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-01-16 | Release date: | 2009-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Exploring thrombin S3 pocket To be Published
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2XBV
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![BU of 2xbv by Molmil](/molmil-images/mine/2xbv) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2KFX
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2ZIW
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![BU of 2ziw by Molmil](/molmil-images/mine/2ziw) | Crystal structure of the Mus81-Eme1 complex | Descriptor: | Crossover junction endonuclease EME1, Mus81 protein | Authors: | Chang, J.H, Kim, J.J, Choi, J.M, Lee, J.H, Cho, Y. | Deposit date: | 2008-02-25 | Release date: | 2008-04-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the Mus81-Eme1 complex Genes Dev., 22, 2008
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3HRH
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![BU of 3hrh by Molmil](/molmil-images/mine/3hrh) | Crystal Structure of Antigen 85C and Glycerol | Descriptor: | Antigen 85-C, GLYCEROL | Authors: | Boucau, J, Sanki, A.K, Umesiri, F.E, Sucheck, S.J, Ronning, D.R. | Deposit date: | 2009-06-09 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, synthesis and biological evaluation of sugar-derived esters, alpha-ketoesters and alpha-ketoamides as inhibitors for Mycobacterium tuberculosis antigen 85C. Mol Biosyst, 5, 2009
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2ZG3
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2XFI
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![BU of 2xfi by Molmil](/molmil-images/mine/2xfi) | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide | Descriptor: | BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2010-05-24 | Release date: | 2010-07-07 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
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2ZHT
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![BU of 2zht by Molmil](/molmil-images/mine/2zht) | Crystal structure of BACE1 at pH 4.5 | Descriptor: | Beta-secretase 1 | Authors: | Shimizu, H, Nukina, N. | Deposit date: | 2008-02-08 | Release date: | 2008-04-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of an active form of BACE1, an enzyme responsible for amyloid beta protein production Mol.Cell.Biol., 28, 2008
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2ZIZ
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![BU of 2ziz by Molmil](/molmil-images/mine/2ziz) | Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3-deazaadenosine | Descriptor: | 3-DEAZA-ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C. | Deposit date: | 2008-02-29 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors. Protein Sci., 17, 2008
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2ZLV
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![BU of 2zlv by Molmil](/molmil-images/mine/2zlv) | Horse methemoglobin high salt, pH 7.0 (79% relative humidity) | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kaushal, P.S, Sankaranarayanan, R, Vijayan, M. | Deposit date: | 2008-04-10 | Release date: | 2008-06-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Water-mediated variability in the structure of relaxed-state haemoglobin Acta Crystallogr.,Sect.F, 64, 2008
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3HYQ
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![BU of 3hyq by Molmil](/molmil-images/mine/3hyq) | Crystal Structure of Isopentenyl-Diphosphate delta-Isomerase from Salmonella entericase | Descriptor: | Isopentenyl-diphosphate Delta-isomerase | Authors: | Kim, Y, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-06-22 | Release date: | 2009-06-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.525 Å) | Cite: | Crystal Structure of Isopentenyl-Diphosphate delta-Isomerase from Salmonella entericase To be Published
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2ZNE
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![BU of 2zne by Molmil](/molmil-images/mine/2zne) | Crystal structure of Zn2+-bound form of des3-23ALG-2 complexed with Alix ABS peptide | Descriptor: | 16-meric peptide from Programmed cell death 6-interacting protein, Programmed cell death protein 6, SODIUM ION, ... | Authors: | Suzuki, H, Kawasaki, M, Inuzuka, T, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M. | Deposit date: | 2008-04-22 | Release date: | 2008-09-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Ca(2+)-Dependent Formation of ALG-2/Alix Peptide Complex: Ca(2+)/EF3-Driven Arginine Switch Mechanism Structure, 16, 2008
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3I2Y
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![BU of 3i2y by Molmil](/molmil-images/mine/3i2y) | Proteinase K by Classical hanging drop Method before high X-Ray dose on ID14-2 Beamline at ESRF | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | Deposit date: | 2009-06-30 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.995 Å) | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals To be Published
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3LAQ
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![BU of 3laq by Molmil](/molmil-images/mine/3laq) | Structure-based engineering of species selectivity in the uPA-uPAR interaction | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator | Authors: | Huang, M. | Deposit date: | 2010-01-06 | Release date: | 2010-02-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-based engineering of species selectivity in the interaction between urokinase and its receptor: implication for preclinical cancer therapy. J.Biol.Chem., 285, 2010
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2ZOQ
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![BU of 2zoq by Molmil](/molmil-images/mine/2zoq) | Structural dissection of human mitogen-activated kinase ERK1 | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 3, SODIUM ION, ... | Authors: | Kinoshita, T, Tada, T, Nakae, S, Yoshida, I. | Deposit date: | 2008-06-01 | Release date: | 2009-04-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of human mono-phosphorylated ERK1 at Tyr204 Biochem.Biophys.Res.Commun., 377, 2008
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3LGP
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![BU of 3lgp by Molmil](/molmil-images/mine/3lgp) | Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor | Descriptor: | (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION | Authors: | Orth, P. | Deposit date: | 2010-01-21 | Release date: | 2010-07-28 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and activity relationships of tartrate-based TACE inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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