1ZFP
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2AOI
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![BU of 2aoi by Molmil](/molmil-images/mine/2aoi) | Crystal structure analysis of HIV-1 protease with a substrate analog P1-P6 | Descriptor: | PEPTIDE INHIBITOR, POL POLYPROTEIN, SULFATE ION | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
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1LMP
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2WTJ
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![BU of 2wtj by Molmil](/molmil-images/mine/2wtj) | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE, CHECKPOINT KINASE 2, ... | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2009-09-16 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2 Bioorg.Med.Chem., 18, 2010
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2ARQ
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![BU of 2arq by Molmil](/molmil-images/mine/2arq) | Human plasminogen activator inhibitor-2.[loop (66-98) deletion mutant] complexed with peptide n-acetyl-teaaagdggvmtgr-oh | Descriptor: | 14-mer from Plasminogen activator inhibitor-2, Plasminogen activator inhibitor-2 | Authors: | Di Giusto, D.A, Sutherland, A.P, Jankova, L, Harrop, S.J, Curmi, P.M, King, G.C. | Deposit date: | 2005-08-21 | Release date: | 2006-07-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Plasminogen activator inhibitor-2 is highly tolerant to P8 residue substitution--implications for serpin mechanistic model and prediction of nsSNP activities J.Mol.Biol., 353, 2005
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1ZBG
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![BU of 1zbg by Molmil](/molmil-images/mine/1zbg) | Crystal structure of a complex of mutant hiv-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 | Descriptor: | CHLORIDE ION, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, ... | Authors: | Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J. | Deposit date: | 2005-04-08 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures To be Published
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1ZC4
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![BU of 1zc4 by Molmil](/molmil-images/mine/1zc4) | Crystal structure of the Ral-binding domain of Exo84 in complex with the active RalA | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Ral-A, ... | Authors: | Jin, R, Junutula, J.R, Matern, H.T, Ervin, K.E, Scheller, R.H, Brunger, A.T. | Deposit date: | 2005-04-10 | Release date: | 2005-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Exo84 and Sec5 are competitive regulatory Sec6/8 effectors to the RalA GTPase. Embo J., 24, 2005
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2AVM
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![BU of 2avm by Molmil](/molmil-images/mine/2avm) | Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S | Descriptor: | ACETIC ACID, GLYCEROL, HIV-1 protease, ... | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-30 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
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2AOF
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![BU of 2aof by Molmil](/molmil-images/mine/2aof) | Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P1-P6 | Descriptor: | ACETIC ACID, CHLORIDE ION, PEPTIDE INHIBITOR, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
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1ZKZ
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![BU of 1zkz by Molmil](/molmil-images/mine/1zkz) | Crystal Structure of BMP9 | Descriptor: | Growth/differentiation factor 2 | Authors: | Brown, M.A, Zhao, Q, Baker, K.A, Naik, C, Chen, C, Pukac, L, Singh, M, Tsareva, T, Parice, Y, Mahoney, A, Roschke, V, Sanyal, I, Choe, S. | Deposit date: | 2005-05-04 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structure of BMP-9 and functional interactions with pro-region and receptors J.Biol.Chem., 280, 2005
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1KZC
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![BU of 1kzc by Molmil](/molmil-images/mine/1kzc) | Complex of MBP-C and high-affinity linear trimannose | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN C, ... | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | Deposit date: | 2002-02-06 | Release date: | 2002-07-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition. J.Biol.Chem., 277, 2002
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2AXY
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![BU of 2axy by Molmil](/molmil-images/mine/2axy) | Crystal Structure of KH1 domain of human Poly(C)-binding protein-2 with C-rich strand of human telomeric DNA | Descriptor: | C-rich strand of human telomeric dna, Poly(rC)-binding protein 2 | Authors: | Du, Z, Lee, J.K, Tjhen, R.J, Li, S, Stroud, R.M, James, T.L. | Deposit date: | 2005-09-06 | Release date: | 2005-09-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the First KH Domain of Human Poly(C)-binding Protein-2 in Complex with a C-rich Strand of Human Telomeric DNA at 1.7 A J.Biol.Chem., 280, 2005
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1ZLM
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![BU of 1zlm by Molmil](/molmil-images/mine/1zlm) | Crystal structure of the SH3 domain of human osteoclast stimulating factor | Descriptor: | Osteoclast stimulating factor 1 | Authors: | Chen, L, Wang, Y, Wells, D, Toh, D, Harold, H, Zhou, J, DiGiammarino, E, Meehan, E.J. | Deposit date: | 2005-05-06 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Structure of the SH3 domain of human osteoclast-stimulating factor at atomic resolution. Acta Crystallogr.,Sect.F, 62, 2006
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1KZW
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![BU of 1kzw by Molmil](/molmil-images/mine/1kzw) | Solution structure of Human Intestinal Fatty acid binding protein | Descriptor: | INTESTINAL FATTY ACID-BINDING PROTEIN (A54) | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | Deposit date: | 2002-02-08 | Release date: | 2003-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism Biochemistry, 42, 2003
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2AQU
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![BU of 2aqu by Molmil](/molmil-images/mine/2aqu) | Structure of HIV-1 protease bound to atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, HIV-1 Protease | Authors: | Clemente, J.C, Coman, R.M, Thiaville, M.M, Janka, L.K, Jeung, J.A, Nukoolkarn, S, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Leelamanit, W, Goodenow, M.M, Dunn, B.M. | Deposit date: | 2005-08-18 | Release date: | 2006-08-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir. Biochemistry, 45, 2006
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1LAA
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2B00
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![BU of 2b00 by Molmil](/molmil-images/mine/2b00) | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate | Descriptor: | CALCIUM ION, GLYCOCHOLIC ACID, Phospholipase A2, ... | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | Deposit date: | 2005-09-12 | Release date: | 2006-11-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2. J.Mol.Biol., 369, 2007
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1TGT
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![BU of 1tgt by Molmil](/molmil-images/mine/1tgt) | ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | Descriptor: | CALCIUM ION, METHANOL, TRYPSINOGEN | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | Deposit date: | 1981-10-26 | Release date: | 1982-03-04 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B, 38, 1982
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3TTJ
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![BU of 3ttj by Molmil](/molmil-images/mine/3ttj) | Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury | Descriptor: | 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 | Authors: | Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg.Med.Chem.Lett., 22, 2012
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2B04
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![BU of 2b04 by Molmil](/molmil-images/mine/2b04) | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycochenodeoxycholate | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCOCHENODEOXYCHOLIC ACID, ... | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | Deposit date: | 2005-09-12 | Release date: | 2006-11-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2. J.Mol.Biol., 369, 2007
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2B2X
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![BU of 2b2x by Molmil](/molmil-images/mine/2b2x) | VLA1 RdeltaH I-domain complexed with a quadruple mutant of the AQC2 Fab | Descriptor: | Antibody AQC2 Fab, Integrin alpha-1, MAGNESIUM ION | Authors: | Clark, L.A, Boriack-Sjodin, P.A, Eldredge, J, Fitch, C, Friedman, B, Hanf, K.J, Jarpe, M, Liparoto, S.F, Li, Y, Lugovskoy, A. | Deposit date: | 2005-09-19 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design Protein Sci., 15, 2006
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1YV7
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![BU of 1yv7 by Molmil](/molmil-images/mine/1yv7) | X-ray structure of (C87S,des103-104) onconase | Descriptor: | P-30 protein, SULFATE ION | Authors: | Merlino, A, Mazzarella, L, Carannante, A, Di Fiore, A, Di Donato, A, Notomista, E, Sica, F. | Deposit date: | 2005-02-15 | Release date: | 2005-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Importance of Dynamic Effects on the Enzyme Activity: X-RAY STRUCTURE AND MOLECULAR DYNAMICS OF ONCONASE MUTANTS J.Biol.Chem., 280, 2005
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1ZHP
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![BU of 1zhp by Molmil](/molmil-images/mine/1zhp) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant) | Descriptor: | BENZAMIDINE, GLUTATHIONE, coagulation factor XI | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-04-26 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors. Acta Crystallogr.,Sect.D, 61, 2005
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1LD5
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![BU of 1ld5 by Molmil](/molmil-images/mine/1ld5) | STRUCTURE OF BPTI MUTANT A16V | Descriptor: | PANCREATIC TRYPSIN INHIBITOR | Authors: | Cierpicki, T, Otlewski, J. | Deposit date: | 2002-04-08 | Release date: | 2002-09-11 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability. J.Mol.Biol., 321, 2002
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1YWO
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![BU of 1ywo by Molmil](/molmil-images/mine/1ywo) | Phospholipase Cgamma1 SH3 in complex with a SLP-76 motif | Descriptor: | 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma 1, Lymphocyte cytosolic protein 2 | Authors: | Deng, L, Velikovsky, C.A, Swaminathan, C.P, Cho, S, Mariuzza, R.A. | Deposit date: | 2005-02-18 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Basis for Recognition of the T Cell Adaptor Protein SLP-76 by the SH3 Domain of Phospholipase Cgamma1 J.Mol.Biol., 352, 2005
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