8I42
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8I47
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3PWC
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![BU of 3pwc by Molmil](/molmil-images/mine/3pwc) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-08 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PYH
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![BU of 3pyh by Molmil](/molmil-images/mine/3pyh) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-13 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PWB
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![BU of 3pwb by Molmil](/molmil-images/mine/3pwb) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-08 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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5J5X
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![BU of 5j5x by Molmil](/molmil-images/mine/5j5x) | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416 | Descriptor: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAL-DAR-DAR-DAR-DAR, SULFATE ION, ... | Authors: | Alam, K.A, Ivan, T, Uri, A, Engh, R.A. | Deposit date: | 2016-04-04 | Release date: | 2016-07-20 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. Bioconjug.Chem., 27, 2016
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8DJG
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![BU of 8djg by Molmil](/molmil-images/mine/8djg) | ADGRL3-lectin domain in complex with an activating synthetic antibody fragment | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoform 2 of Adhesion G protein-coupled receptor L3, ... | Authors: | Kordon, S.P, Bandekar, S.J, Arac, D. | Deposit date: | 2022-06-30 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder. Nat Commun, 14, 2023
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6TLR
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![BU of 6tlr by Molmil](/molmil-images/mine/6tlr) | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE | Descriptor: | 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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3PLP
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![BU of 3plp by Molmil](/molmil-images/mine/3plp) | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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7ACO
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7ACL
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7ACM
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2OTZ
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4CUF
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![BU of 4cuf by Molmil](/molmil-images/mine/4cuf) | Human Notch1 EGF domains 11-13 mutant T466S | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | Authors: | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | Deposit date: | 2014-03-18 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands. Proc.Natl.Acad.Sci.USA, 111, 2014
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8V9O
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![BU of 8v9o by Molmil](/molmil-images/mine/8v9o) | Imaging scaffold engineered to bind the therapeutic protein target BARD1 | Descriptor: | CALCIUM ION, Tetrahedral Nanocage Cage Component Fused to Anti-BARD1 Darpin, Tetrahedral Nanocage Cage, ... | Authors: | Agdanowski, M.P, Castells-Graells, R, Sawaya, M.R, Yeates, T.O, Arbing, M.A. | Deposit date: | 2023-12-08 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.81 Å) | Cite: | X-ray crystal structure of a designed rigidified imaging scaffold in the ligand-free conformation. Acta Crystallogr.,Sect.F, 80, 2024
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6TLU
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![BU of 6tlu by Molmil](/molmil-images/mine/6tlu) | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5-DIBROMOBENZOTRIAZOLE | Descriptor: | 6,7-bis(bromanyl)-1~{H}-benzotriazole, Casein kinase II subunit alpha, SODIUM ION | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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1V2V
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![BU of 1v2v by Molmil](/molmil-images/mine/1v2v) | Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1 | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2K
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![BU of 1v2k by Molmil](/molmil-images/mine/1v2k) | Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2 | Descriptor: | CALCIUM ION, SULFATE ION, Trypsin, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2Q
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![BU of 1v2q by Molmil](/molmil-images/mine/1v2q) | Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4 | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2T
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![BU of 1v2t by Molmil](/molmil-images/mine/1v2t) | Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4 | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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3P9G
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1V2N
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![BU of 1v2n by Molmil](/molmil-images/mine/1v2n) | Potent factor XA inhibitor in complex with bovine trypsin variant X(99/175/190)bT | Descriptor: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Trypsin | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2S
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![BU of 1v2s by Molmil](/molmil-images/mine/1v2s) | Benzamidine in complex with bovine trypsin variant X(SSFI.Glu)bT.D1 | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2J
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![BU of 1v2j by Molmil](/molmil-images/mine/1v2j) | BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)bT.C1 | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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3P9H
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