2H6S
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![BU of 2h6s by Molmil](/molmil-images/mine/2h6s) | Secreted aspartic proteinase (Sap) 3 from Candida albicans | Descriptor: | Candidapepsin-3, ZINC ION | Authors: | Ruge, E, Borelli, C, Maskos, K, Huber, R. | Deposit date: | 2006-06-01 | Release date: | 2007-06-12 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the secreted aspartic proteinase 3 from Candida albicans and its complex with pepstatin A. Proteins, 68, 2007
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2QZX
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![BU of 2qzx by Molmil](/molmil-images/mine/2qzx) | Secreted aspartic proteinase (Sap) 5 from Candida albicans | Descriptor: | Candidapepsin-5, Pepstatin | Authors: | Lee, J.H, Ruge, E, Borelli, C, Maskos, K, Huber, R. | Deposit date: | 2007-08-17 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structures of Sap1 and Sap5: Structural comparison of the secreted aspartic proteinases from Candida albicans. Proteins, 72, 2008
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4COS
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![BU of 4cos by Molmil](/molmil-images/mine/4cos) | Crystal structure of the PHD-Bromo-PWWP cassette of human PRKCBP1 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, PROTEIN KINASE C-BINDING PROTEIN 1, ZINC ION | Authors: | Krojer, T, Savitsky, P, Newman, J.A, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Filippakopoulos, P. | Deposit date: | 2014-01-30 | Release date: | 2014-03-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Multivalent Histone and DNA Engagement by a PHD/BRD/PWWP Triple Reader Cassette Recruits ZMYND8 to K14ac-Rich Chromatin. Cell Rep, 17, 2016
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4QL8
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![BU of 4ql8 by Molmil](/molmil-images/mine/4ql8) | Crystal structure of Androgen Receptor in complex with the ligand | Descriptor: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | Authors: | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | Deposit date: | 2014-06-11 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration J.Med.Chem., 57, 2014
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4GI7
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![BU of 4gi7 by Molmil](/molmil-images/mine/4gi7) | Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with a pantothenate analogue | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ... | Authors: | Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC) | Deposit date: | 2012-08-08 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides. Proteins, 81, 2013
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4IAE
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![BU of 4iae by Molmil](/molmil-images/mine/4iae) | Crystal structure of BAY 60-2770 bound to nostoc H-NOX domain | Descriptor: | 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION | Authors: | Kumar, V, van den Akker, F, Martin, F. | Deposit date: | 2012-12-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes. Biochemistry, 52, 2013
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1PS2
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![BU of 1ps2 by Molmil](/molmil-images/mine/1ps2) | HIGH RESOLUTION NMR SOLUTION STRUCTURE OF HUMAN PS2, 19 STRUCTURES | Descriptor: | PS2 | Authors: | Williams, M.A, Polshakov, V.I, Gargaro, A.R, Feeney, J. | Deposit date: | 1997-01-07 | Release date: | 1997-07-07 | Last modified: | 2021-11-03 | Method: | SOLUTION NMR | Cite: | High-resolution solution structure of human pNR-2/pS2: a single trefoil motif protein. J.Mol.Biol., 267, 1997
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3EOE
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![BU of 3eoe by Molmil](/molmil-images/mine/3eoe) | Crystal Structure of Pyruvate Kinase from toxoplasma gondii, 55.m00007 | Descriptor: | GLYCEROL, Pyruvate kinase | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Wasney, G, Hassani, A, Vedadi, M, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-26 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The crystal structure of Toxoplasma gondii pyruvate kinase 1. Plos One, 5, 2010
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2O8J
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![BU of 2o8j by Molmil](/molmil-images/mine/2o8j) | Human euchromatic histone methyltransferase 2 | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Min, J, Wu, H, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-12 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural biology of human H3K9 methyltransferases Plos One, 5, 2010
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4RCJ
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![BU of 4rcj by Molmil](/molmil-images/mine/4rcj) | Crystal structure of YTHDF1 YTH domain in complex with 5mer m6A RNA | Descriptor: | RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing family protein 1 | Authors: | Tempel, W, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-16 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for the Discriminative Recognition of N6-Methyladenosine RNA by the Human YT521-B Homology Domain Family of Proteins. J.Biol.Chem., 290, 2015
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4IAH
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![BU of 4iah by Molmil](/molmil-images/mine/4iah) | Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122 | Descriptor: | 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2012-12-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes. Biochemistry, 52, 2013
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4IAM
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![BU of 4iam by Molmil](/molmil-images/mine/4iam) | Crystal Structure of the C139A mutant of nostoc H-NOX domain | Descriptor: | Alr2278 protein, MALONATE ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2012-12-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes. Biochemistry, 52, 2013
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2OOZ
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![BU of 2ooz by Molmil](/molmil-images/mine/2ooz) | Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group) | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | Deposit date: | 2007-01-26 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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2P7M
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![BU of 2p7m by Molmil](/molmil-images/mine/2p7m) | Crystal structure of monoclinic form of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes at pH 6.5 | Descriptor: | Glyoxalase family protein | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2007-03-20 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
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3FM0
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![BU of 3fm0 by Molmil](/molmil-images/mine/3fm0) | Crystal structure of WD40 protein Ciao1 | Descriptor: | Protein CIAO1, SULFATE ION | Authors: | Dong, A, Ravichandran, M, Crombet, L, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-19 | Release date: | 2009-02-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and function of WD40 domain proteins. Protein Cell, 2, 2011
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2OOH
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![BU of 2ooh by Molmil](/molmil-images/mine/2ooh) | Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11 | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | Deposit date: | 2007-01-25 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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1TNP
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![BU of 1tnp by Molmil](/molmil-images/mine/1tnp) | |
2P7L
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![BU of 2p7l by Molmil](/molmil-images/mine/2p7l) | Crystal structure of monoclinic form of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes at pH 5.75 | Descriptor: | GLYCEROL, Glyoxalase family protein | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2007-03-20 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
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4L59
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![BU of 4l59 by Molmil](/molmil-images/mine/4l59) | Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex | Descriptor: | 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, Lethal(3)malignant brain tumor-like protein 3, SULFATE ION, ... | Authors: | Zhong, N, Dong, A, Ravichandran, M, Camerino, M.A, Dickson, B.M, James, L.I, Baughman, B.M, Norris, J.L, Kireev, D.B, Janzen, W.P, Graslund, S, Frye, S.V, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-06-10 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface. Medchemcomm, 4, 2013
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2P7P
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![BU of 2p7p by Molmil](/molmil-images/mine/2p7p) | Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and sulfate ion | Descriptor: | Glyoxalase family protein, MANGANESE (II) ION, SULFATE ION | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2007-03-20 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
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3UFY
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![BU of 3ufy by Molmil](/molmil-images/mine/3ufy) | AKR1C3 complex with R-naproxen | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... | Authors: | Squire, C.J, Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M. | Deposit date: | 2011-11-01 | Release date: | 2012-08-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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1R85
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![BU of 1r85 by Molmil](/molmil-images/mine/1r85) | Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6): The WT enzyme (monoclinic form) at 1.45A resolution | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase, GLYCEROL, ... | Authors: | Bar, M, Golan, G, Nechama, M, Zolotnitsky, G, Shoham, Y, Shoham, G. | Deposit date: | 2003-10-23 | Release date: | 2004-07-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Mapping glycoside hydrolase substrate subsites by isothermal titration calorimetry. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1VTK
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![BU of 1vtk by Molmil](/molmil-images/mine/1vtk) | |
3U9N
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![BU of 3u9n by Molmil](/molmil-images/mine/3u9n) | X-ray crystal structure of compound 1 bound to human CHK1 kinase domain | Descriptor: | 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2011-10-19 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of a Novel Series of CHK1 Kinase Inhibitors with Distinctive Hinge Binding Mode ACS MED.CHEM.LETT., 2012
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3PKI
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![BU of 3pki by Molmil](/molmil-images/mine/3pki) | Human SIRT6 crystal structure in complex with ADP ribose | Descriptor: | NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-11 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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