4DSU
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![BU of 4dsu by Molmil](/molmil-images/mine/4dsu) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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8BM8
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![BU of 8bm8 by Molmil](/molmil-images/mine/8bm8) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11 | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-10 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | (placeholder, will be filled after publication) To Be Published
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4KCT
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![BU of 4kct by Molmil](/molmil-images/mine/4kct) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with Oxaloacetate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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4KCV
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![BU of 4kcv by Molmil](/molmil-images/mine/4kcv) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with 2-oxoglutaric acid | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, 2-OXOGLUTARIC ACID, GLYCEROL, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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6ONJ
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![BU of 6onj by Molmil](/molmil-images/mine/6onj) | |
4H5R
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![BU of 4h5r by Molmil](/molmil-images/mine/4h5r) | HSC70 NBD with Na, Cl and glycerol | Descriptor: | CHLORIDE ION, GLYCEROL, Heat shock cognate 71 kDa protein, ... | Authors: | Stec, B. | Deposit date: | 2012-09-18 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition. Biochimie, 108, 2015
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1NPO
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![BU of 1npo by Molmil](/molmil-images/mine/1npo) | |
3O5N
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![BU of 3o5n by Molmil](/molmil-images/mine/3o5n) | Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | Descriptor: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3 | Authors: | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | Deposit date: | 2010-07-28 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain. Chemmedchem, 6, 2011
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3O7L
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3PZU
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![BU of 3pzu by Molmil](/molmil-images/mine/3pzu) | P212121 crystal form of the endo-1,4-beta-glucanase from Bacillus subtilis 168 | Descriptor: | Endoglucanase, GLYCEROL | Authors: | Santos, C.R, Paiva, J.H, Akao, P.K, Meza, A.N, Silva, J.C, Squina, F.M, Ward, R.J, Ruller, R, Murakami, M.T. | Deposit date: | 2010-12-14 | Release date: | 2011-09-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dissecting structure-function-stability relationships of a thermostable GH5-CBM3 cellulase from Bacillus subtilis 168. Biochem.J., 441, 2012
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3PMF
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![BU of 3pmf by Molmil](/molmil-images/mine/3pmf) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Clark, I, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A. | Deposit date: | 2010-11-16 | Release date: | 2011-11-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cavities determine the pressure unfolding of proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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4KNW
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4KCU
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![BU of 4kcu by Molmil](/molmil-images/mine/4kcu) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with D-Malate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, D-MALATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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4KNV
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![BU of 4knv by Molmil](/molmil-images/mine/4knv) | The crystal structure of APO HUMAN HDHD4 FROM SE-MAD | Descriptor: | MAGNESIUM ION, N-acylneuraminate-9-phosphatase, PHOSPHATE ION | Authors: | Klei, H.E. | Deposit date: | 2013-05-10 | Release date: | 2013-06-26 | Last modified: | 2013-07-10 | Method: | X-RAY DIFFRACTION (1.993 Å) | Cite: | Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex. Bioorg.Med.Chem.Lett., 23, 2013
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4DLC
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![BU of 4dlc by Molmil](/molmil-images/mine/4dlc) | Crystal Structure of Trypanosoma brucei dUTPase with dUMP, MgF3- transition state analogue, and Mg2+ | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION, ... | Authors: | Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2012-02-06 | Release date: | 2013-08-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.759 Å) | Cite: | On the catalytic mechanism of dimeric dUTPases. Biochem.J., 456, 2013
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4DVK
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![BU of 4dvk by Molmil](/molmil-images/mine/4dvk) | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 strain NCP-7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ... | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | Deposit date: | 2012-02-23 | Release date: | 2012-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity. Structure, 20, 2012
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3NK9
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![BU of 3nk9 by Molmil](/molmil-images/mine/3nk9) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V74A at cryogenic temperature | Descriptor: | CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A. | Deposit date: | 2010-06-18 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Cavities determine the pressure unfolding of proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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4KCW
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![BU of 4kcw by Molmil](/molmil-images/mine/4kcw) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with oxalate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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3PZT
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![BU of 3pzt by Molmil](/molmil-images/mine/3pzt) | Structure of the endo-1,4-beta-glucanase from Bacillus subtilis 168 with manganese(II) ion | Descriptor: | Endoglucanase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Santos, C.R, Paiva, J.H, Akao, P.K, Meza, A.N, Silva, J.C, Squina, F.M, Ward, R.J, Ruller, R, Murakami, M.T. | Deposit date: | 2010-12-14 | Release date: | 2011-09-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Dissecting structure-function-stability relationships of a thermostable GH5-CBM3 cellulase from Bacillus subtilis 168. Biochem.J., 441, 2012
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3PZV
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![BU of 3pzv by Molmil](/molmil-images/mine/3pzv) | C2 crystal form of the endo-1,4-beta-glucanase from Bacillus subtilis 168 | Descriptor: | Endoglucanase | Authors: | Santos, C.R, Paiva, J.H, Akao, P.K, Meza, A.N, Silva, J.C, Squina, F.M, Ward, R.J, Ruller, R, Murakami, M.T. | Deposit date: | 2010-12-14 | Release date: | 2011-09-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.867 Å) | Cite: | Dissecting structure-function-stability relationships of a thermostable GH5-CBM3 cellulase from Bacillus subtilis 168. Biochem.J., 441, 2012
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3OFF
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![BU of 3off by Molmil](/molmil-images/mine/3off) | |
3OFG
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![BU of 3ofg by Molmil](/molmil-images/mine/3ofg) | Structured Domain of Caenorhabditis elegans BMY-1 | Descriptor: | Boca/mesd chaperone for ywtd beta-propeller-egf protein 1, CHLORIDE ION | Authors: | Collins, M.N, Hendrickson, W.A. | Deposit date: | 2010-08-14 | Release date: | 2011-03-02 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.367 Å) | Cite: | Structural Characterization of the Boca/Mesd Maturation Factors for LDL-Receptor-Type beta-Propeller Domains Structure, 2011
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3OFE
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![BU of 3ofe by Molmil](/molmil-images/mine/3ofe) | |
1DY4
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![BU of 1dy4 by Molmil](/molmil-images/mine/1dy4) | CBH1 IN COMPLEX WITH S-PROPRANOLOL | Descriptor: | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | Authors: | Stahlberg, J, Henriksson, H, Divne, C, Isaksson, R, Pettersson, G, Johansson, G, Jones, T.A. | Deposit date: | 2000-01-26 | Release date: | 2000-12-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Enantiomer Binding and Separation of a Common Beta-Blocker: Crystal Structure of Cellobiohydrolase Cel7A with Bound (S)-Propranolol at 1.9 A Resolution J.Mol.Biol., 305, 2001
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3OFH
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![BU of 3ofh by Molmil](/molmil-images/mine/3ofh) | Structured Domain of Mus musculus Mesd | Descriptor: | LDLR chaperone MESD | Authors: | Collins, M.N, Hendrickson, W.A. | Deposit date: | 2010-08-14 | Release date: | 2011-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.013 Å) | Cite: | Structural Characterization of the Boca/Mesd Maturation Factors for LDL-Receptor-Type beta-Propeller Domains Structure, 2011
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