4BMB
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![BU of 4bmb by Molmil](/molmil-images/mine/4bmb) | Crystal structure of the N terminal domain of human Galectin 8 | Descriptor: | GALECTIN-8, GLYCEROL, SODIUM ION, ... | Authors: | Buzamet, E, Ruiz, F.M, Menendez, M, Romero, A, Gabius, H.J, Solis, D. | Deposit date: | 2013-05-07 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | Natural Single Amino Acid Polymorphism (F19Y) in Human Galectin-8: Detection of Structural Alterations and Increased Growth-Regulatory Activity on Tumor Cells. FEBS J., 281, 2014
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1SII
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![BU of 1sii by Molmil](/molmil-images/mine/1sii) | AGAO in covalent complex with the inhibitor NOBA ("4-(2-naphthyloxy)-2-butyn-1-amine") | Descriptor: | COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ... | Authors: | Guss, J.M, Langley, D.B, Duff, A.P. | Deposit date: | 2004-02-29 | Release date: | 2004-09-07 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Differential Inhibition of Six Copper Amine Oxidases by a Family of 4-(Aryloxy)-2-butynamines: Evidence for a New Mode of Inactivation. Biochemistry, 43, 2004
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3QEL
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![BU of 3qel by Molmil](/molmil-images/mine/3qel) | Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2B in complex with ifenprodil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, Glutamate [NMDA] receptor subunit epsilon-2, ... | Authors: | Karakas, E, Simorowski, N, Furukawa, H. | Deposit date: | 2011-01-20 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Subunit arrangement and phenylethanolamine binding in GluN1/GluN2B NMDA receptors. Nature, 475, 2011
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2EVR
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![BU of 2evr by Molmil](/molmil-images/mine/2evr) | |
1S5B
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![BU of 1s5b by Molmil](/molmil-images/mine/1s5b) | Cholera holotoxin with an A-subunit Y30S mutation Form 3 | Descriptor: | Cholera enterotoxin, A chain precursor, SODIUM ION, ... | Authors: | O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G. | Deposit date: | 2004-01-20 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structures of an intrinsically active cholera toxin mutant yield
insight into the toxin activation mechanism Biochemistry, 43, 2004
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1S81
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![BU of 1s81 by Molmil](/molmil-images/mine/1s81) | PORCINE TRYPSIN WITH NO INHIBITOR BOUND | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E. | Deposit date: | 2004-01-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Biochemistry, 43, 2004
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4CD5
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![BU of 4cd5 by Molmil](/molmil-images/mine/4cd5) | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
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4BOW
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![BU of 4bow by Molmil](/molmil-images/mine/4bow) | Crystal structure of LamA_E269S from Z. galactanivorans in complex with laminaritriose and laminaritetraose | Descriptor: | CALCIUM ION, ENDO-1,3-BETA-GLUCANASE, FAMILY GH16, ... | Authors: | Labourel, A, Jeudy, A, Czjzek, M, Michel, G. | Deposit date: | 2013-05-22 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The Beta-Glucanase Zglama from Zobellia Galactanivorans Evolved a Bent Active Site Adapted for Efficient Degradation of Algal Laminarin J.Biol.Chem., 289, 2014
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3QG7
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![BU of 3qg7 by Molmil](/molmil-images/mine/3qg7) | Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody | Descriptor: | AP4-24H11 Antibody Heavy Chain, AP4-24H11 Antibody Light Chain, HEXAETHYLENE GLYCOL, ... | Authors: | Kirchdoerfer, R.K, Kaufmann, G.F, Janda, J.D, Wilson, I.A. | Deposit date: | 2011-01-24 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody. J.Biol.Chem., 286, 2011
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2CG0
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![BU of 2cg0 by Molmil](/molmil-images/mine/2cg0) | AGAO in complex with wc9a (Ru-wire inhibitor, 9-carbon linker, data set a) | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | Authors: | Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B. | Deposit date: | 2006-02-27 | Release date: | 2007-05-01 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter Globiformis. J.Am.Chem.Soc., 130, 2008
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4CD4
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![BU of 4cd4 by Molmil](/molmil-images/mine/4cd4) | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
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2CKR
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![BU of 2ckr by Molmil](/molmil-images/mine/2ckr) | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THERMOBIFIDA FUSCA ENDOGLUCANASE CEL5A (E5) E355Q IN COMPLEX WITH CELLOTETRAOSE | Descriptor: | BENZAMIDINE, ENDOGLUCANASE E-5, SODIUM ION, ... | Authors: | Berglund, G.I, Gualfetti, P.J, Requadt, C, Gross, L.S, Bergfors, T, Shaw, A, Saldajeno, M, Mitchinson, C, Sandgren, M. | Deposit date: | 2006-04-21 | Release date: | 2007-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase Cel5A in Complex with Cellotetraose To be Published
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2D1E
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![BU of 2d1e by Molmil](/molmil-images/mine/2d1e) | Crystal structure of PcyA-biliverdin complex | Descriptor: | BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION | Authors: | Hagiwara, Y, Sugishima, M, Takahashi, Y, Fukuyama, K. | Deposit date: | 2005-08-17 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin IXalpha, a key enzyme in the biosynthesis of phycocyanobilin Proc.Natl.Acad.Sci.Usa, 103, 2006
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2CN0
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![BU of 2cn0 by Molmil](/molmil-images/mine/2cn0) | Complex of Recombinant Human Thrombin with a Designed Inhibitor | Descriptor: | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE, CALCIUM ION, HIRUDIN IIA, ... | Authors: | Hoffmann-Roder, A, Schweizer, E, Egger, J, Seiler, P, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F. | Deposit date: | 2006-05-17 | Release date: | 2006-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mapping the Fluorophilicity of a Hydrophobic Pocket: Synthesis and Biological Evaluation of Tricyclic Thrombin Inhibitors Directing Fluorinated Alkyl Groups Into the P Pocket Chemmedchem, 1, 2006
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1SGW
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![BU of 1sgw by Molmil](/molmil-images/mine/1sgw) | Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001 | Descriptor: | CHLORIDE ION, SODIUM ION, putative ABC transporter | Authors: | Liu, Z.J, Tempel, W, Shah, A, Chen, L, Lee, D, Kelley, L.-L.C, Dillard, B.D, Rose, J.P, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-02-24 | Release date: | 2004-08-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001 To be Published
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1SK4
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![BU of 1sk4 by Molmil](/molmil-images/mine/1sk4) | crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha | Descriptor: | Peptidoglycan recognition protein I-alpha, SODIUM ION | Authors: | Guan, R, Malchiodi, E.L, Qian, W, Schuck, P, Mariuzza, R.A. | Deposit date: | 2004-03-04 | Release date: | 2004-07-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha J.Biol.Chem., 279, 2004
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4C1P
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![BU of 4c1p by Molmil](/molmil-images/mine/4c1p) | Geobacillus thermoglucosidasius GH family 52 xylosidase | Descriptor: | BETA-XYLOSIDASE, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | Authors: | Espina, G, Eley, K, Schneider, T.R, Crennell, S.J, Danson, M.J. | Deposit date: | 2013-08-13 | Release date: | 2014-05-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.634 Å) | Cite: | A Novel Beta-Xylosidase Structure from Geobacillus Thermoglucosidasius: The First Crystal Structure of a Glycoside Hydrolase Family Gh52 Enzyme Reveals Unpredicted Similarity to Other Glycoside Hydrolase Folds Acta Crystallogr.,Sect.D, 70, 2014
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1SPB
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![BU of 1spb by Molmil](/molmil-images/mine/1spb) | SUBTILISIN BPN' PROSEGMENT (77 RESIDUES) COMPLEXED WITH A MUTANT SUBTILISIN BPN' (266 RESIDUES). CRYSTAL PH 4.6. CRYSTALLIZATION TEMPERATURE 20 C DIFFRACTION TEMPERATURE-160 C | Descriptor: | SODIUM ION, SUBTILISIN BPN', SUBTILISIN BPN' PROSEGMENT | Authors: | Gallagher, D.T, Gilliland, G.L, Wang, L, Bryan, P.N. | Deposit date: | 1995-06-21 | Release date: | 1995-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The prosegment-subtilisin BPN' complex: crystal structure of a specific 'foldase'. Structure, 3, 1995
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1VMF
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![BU of 1vmf by Molmil](/molmil-images/mine/1vmf) | |
3QEM
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![BU of 3qem by Molmil](/molmil-images/mine/3qem) | Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2B in complex with Ro 25-6981 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, Glutamate [NMDA] receptor subunit epsilon-2, ... | Authors: | Karakas, E, Simorowski, N, Furukawa, H. | Deposit date: | 2011-01-20 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Subunit arrangement and phenylethanolamine binding in GluN1/GluN2B NMDA receptors. Nature, 475, 2011
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2E66
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![BU of 2e66 by Molmil](/molmil-images/mine/2e66) | Crystal Structure Of CutA1 From Pyrococcus Horikoshii OT3, Mutation D60A | Descriptor: | CHLORIDE ION, Divalent-cation tolerance protein cutA, SODIUM ION | Authors: | Bagautdinov, B, Sawano, M, Bagautdinova, S, Yutani, K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-12-25 | Release date: | 2007-06-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the hyper-thermostability of CutA1 To be Published
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3QLP
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![BU of 3qlp by Molmil](/molmil-images/mine/3qlp) | X-ray structure of the complex between human alpha thrombin and a modified thrombin binding aptamer (mTBA) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ... | Authors: | Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | Deposit date: | 2011-02-03 | Release date: | 2011-10-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Thrombin-aptamer recognition: a revealed ambiguity. Nucleic Acids Res., 39, 2011
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2EKA
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![BU of 2eka by Molmil](/molmil-images/mine/2eka) | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L202M) | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, diphthine synthase | Authors: | Asada, Y, Matsuura, Y, Kageyama, Y, Nakamoto, T, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-22 | Release date: | 2007-09-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L202M) To be Published
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3QTV
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![BU of 3qtv by Molmil](/molmil-images/mine/3qtv) | Thrombin Inhibition by Pyridin Derivatives | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-02-23 | Release date: | 2012-02-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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3QWC
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![BU of 3qwc by Molmil](/molmil-images/mine/3qwc) | Thrombin Inhibition by Pyridin Derivatives | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-02-28 | Release date: | 2012-03-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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