4FP1
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![BU of 4fp1 by Molmil](/molmil-images/mine/4fp1) | P. putida mandelate racemase co-crystallized with 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl) propionic acid | Descriptor: | 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid, MAGNESIUM ION, Mandelate racemase | Authors: | Lietzan, A.D, St.Maurice, M. | Deposit date: | 2012-06-21 | Release date: | 2013-06-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Potent inhibition of mandelate racemase by a fluorinated substrate-product analogue with a novel binding mode. Biochemistry, 53, 2014
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4FRR
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3QUL
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![BU of 3qul by Molmil](/molmil-images/mine/3qul) | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S) | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | Deposit date: | 2011-02-24 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics. Eur.J.Immunol., 42, 2012
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4GGJ
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![BU of 4ggj by Molmil](/molmil-images/mine/4ggj) | Crystal structure of Zucchini from mouse (mZuc / PLD6 / MitoPLD) | Descriptor: | Mitochondrial cardiolipin hydrolase, ZINC ION | Authors: | Ipsaro, J.J, Haase, A.D, Hannon, G.J, Joshua-Tor, L. | Deposit date: | 2012-08-06 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structural biochemistry of Zucchini implicates it as a nuclease in piRNA biogenesis. Nature, 491, 2012
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4GAV
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![BU of 4gav by Molmil](/molmil-images/mine/4gav) | Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with quinone | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase, UBIQUINONE-2 | Authors: | Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J. | Deposit date: | 2012-07-25 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates. Proc.Natl.Acad.Sci.USA, 109, 2012
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2JSB
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![BU of 2jsb by Molmil](/molmil-images/mine/2jsb) | Solution structure of arenicin-1 | Descriptor: | Arenicin-1 | Authors: | Jakovkin, I.B, Hecht, O, Gelhaus, C, Krasnosdembskaya, A.D, Fedders, H, Leippe, M, Groetzinger, J. | Deposit date: | 2007-07-02 | Release date: | 2008-02-05 | Last modified: | 2020-02-19 | Method: | SOLUTION NMR | Cite: | Structure and mode of action of the antimicrobial peptide arenicin Biochem.J., 410, 2008
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2J94
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![BU of 2j94 by Molmil](/molmil-images/mine/2j94) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | Deposit date: | 2006-11-02 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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5I6C
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![BU of 5i6c by Molmil](/molmil-images/mine/5i6c) | The structure of the eukaryotic purine/H+ symporter, UapA, in complex with Xanthine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Uric acid-xanthine permease, XANTHINE | Authors: | Alguel, Y, Amillis, S, Leung, J, Lambrinidis, G, Capaldi, S, Scull, N.J, Craven, G, Iwata, S, Armstrong, A, Mikros, E, Diallinas, G, Cameron, A.D, Byrne, B. | Deposit date: | 2016-02-16 | Release date: | 2016-04-27 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structure of eukaryotic purine/H(+) symporter UapA suggests a role for homodimerization in transport activity. Nat Commun, 7, 2016
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2J4I
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![BU of 2j4i by Molmil](/molmil-images/mine/2j4i) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-, ... | Authors: | Young, R.J, Campbell, M, Borthwick, A.D, Brown, D, Chan, C, Convery, M.A, Crowe, M.C, Dayal, S, Diallo, H, Kelly, H.A, Paul King, N, Kleanthous, S, Kurtis, C.L, Mason, A.M, Mordaunt, J.E, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Smith, P.W, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2006-08-31 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs. Bioorg.Med.Chem.Lett., 16, 2006
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2J50
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![BU of 2j50 by Molmil](/molmil-images/mine/2j50) | Structure of Aurora-2 in complex with PHA-739358 | Descriptor: | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION | Authors: | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | Deposit date: | 2006-09-08 | Release date: | 2006-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile. J.Med.Chem., 49, 2006
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2JGB
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![BU of 2jgb by Molmil](/molmil-images/mine/2jgb) | Structure of human eIF4E homologous protein 4EHP with m7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | Authors: | Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L. | Deposit date: | 2007-02-12 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms. J. Mol. Biol., 368, 2007
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2JGC
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![BU of 2jgc by Molmil](/molmil-images/mine/2jgc) | Structure of the human eIF4E homologous protein, 4EHP without ligand bound | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | Authors: | Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L. | Deposit date: | 2007-02-12 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms. J. Mol. Biol., 368, 2007
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5K72
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![BU of 5k72 by Molmil](/molmil-images/mine/5k72) | IRAK4 in complex with Compound 21 | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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2J95
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![BU of 2j95 by Molmil](/molmil-images/mine/2j95) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | Deposit date: | 2006-11-02 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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5K7G
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![BU of 5k7g by Molmil](/molmil-images/mine/5k7g) | IRAK4 in complex with AZ3862 | Descriptor: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-26 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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2JLN
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![BU of 2jln by Molmil](/molmil-images/mine/2jln) | Structure of Mhp1, a nucleobase-cation-symport-1 family transporter | Descriptor: | MERCURY (II) ION, MHP1, SODIUM ION | Authors: | Weyand, S, Shimamura, T, Yajima, S, Suzuki, S, Mirza, O, Krusong, K, Carpenter, E.P, Rutherford, N.G, Hadden, J.M, O'Reilly, J, Ma, P, Saidijam, M, Patching, S.G, Hope, R.J, Norbertczak, H.T, Roach, P.C.J, Iwata, S, Henderson, P.J.F, Cameron, A.D. | Deposit date: | 2008-09-11 | Release date: | 2008-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and Molecular Mechanism of a Nucleobase-Cation-Symport-1 Family Transporter. Science, 322, 2008
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5K1A
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5KGG
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5KGK
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5K1C
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![BU of 5k1c by Molmil](/molmil-images/mine/5k1c) | Crystal structure of the UAF1/WDR20/USP12 complex | Descriptor: | PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE, Ubiquitin carboxyl-terminal hydrolase 12, ... | Authors: | Li, H, D'Andrea, A.D, Zheng, N. | Deposit date: | 2016-05-18 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20. Mol.Cell, 63, 2016
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5K16
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5K76
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![BU of 5k76 by Molmil](/molmil-images/mine/5k76) | IRAK4 in complex with Compound 28 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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2IQ7
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![BU of 2iq7 by Molmil](/molmil-images/mine/2iq7) | Crystal structure of the polygalacturonase from Colletotrichum lupini and its implications for the interaction with polygalacturonase-inhibiting proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bonivento, D, Federici, L, Matteo, A.D. | Deposit date: | 2006-10-13 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of the endopolygalacturonase from the phytopathogenic fungus Colletotrichum lupini and its interaction with polygalacturonase-inhibiting proteins Proteins, 70, 2008
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5K7I
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![BU of 5k7i by Molmil](/molmil-images/mine/5k7i) | IRAK4 in complex with AZ3864 | Descriptor: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-26 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K1B
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