1JSF
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2D5Z
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![BU of 2d5z by Molmil](/molmil-images/mine/2d5z) | Crystal structure of T-state human hemoglobin complexed with three L35 molecules | Descriptor: | 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID, Hemoglobin alpha subunit, Hemoglobin beta subunit, ... | Authors: | Yokoyama, T, Neya, S, Tsuneshige, A, Yonetani, T, Park, S.Y, Tame, J.R. | Deposit date: | 2005-11-08 | Release date: | 2006-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | R-state haemoglobin with low oxygen affinity: crystal structures of deoxy human and carbonmonoxy horse haemoglobin bound to the effector molecule L35 J.Mol.Biol., 356, 2006
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3HMN
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![BU of 3hmn by Molmil](/molmil-images/mine/3hmn) | Crystal structure of human Mps1 catalytic domain in complex with ATP | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity protein kinase TTK | Authors: | Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A. | Deposit date: | 2009-05-29 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes. Biochemistry, 49, 2010
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1JQ9
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![BU of 1jq9 by Molmil](/molmil-images/mine/1jq9) | Crystal structure of a complex formed between phospholipase A2 from Daboia russelli pulchella and a designed pentapeptide Phe-Leu-Ser-Tyr-Lys at 1.8 resolution | Descriptor: | ACETIC ACID, Peptide inhibitor, Phospholipase A2 | Authors: | Chandra, V, Jasti, J, Kaur, P, Dey, S, Betzel, C, Singh, T.P. | Deposit date: | 2001-08-04 | Release date: | 2002-11-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of a Complex Formed between a Snake Venom Phospholipase A2 and a Potent Peptide Inhibitor Phe-Leu-Ser-Tyr-Lys at 1.8 A Resolution J.BIOL.CHEM., 277, 2002
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2D4I
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1JIS
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2DA2
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![BU of 2da2 by Molmil](/molmil-images/mine/2da2) | Solution structure of the second homeobox domain of AT-binding transcription factor 1 (ATBF1) | Descriptor: | Alpha-fetoprotein enhancer binding protein | Authors: | Ohnishi, S, Kigawa, T, Tochio, N, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-12-13 | Release date: | 2006-06-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second homeobox domain of AT-binding transcription factor 1 (ATBF1) To be Published
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3HLL
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![BU of 3hll by Molmil](/molmil-images/mine/3hll) | Crystal Structure of Human p38alpha complexed with PH-797804 | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, HYPOPHOSPHITE, ... | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | Deposit date: | 2009-05-27 | Release date: | 2009-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 48, 2009
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1JIY
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2X7F
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![BU of 2x7f by Molmil](/molmil-images/mine/2x7f) | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | Authors: | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2010-02-26 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor To be Published
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1JKC
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![BU of 1jkc by Molmil](/molmil-images/mine/1jkc) | HUMAN LYSOZYME MUTANT WITH TRP 109 REPLACED BY PHE | Descriptor: | LYSOZYME, NITRATE ION | Authors: | Muraki, M, Harata, K, Goda, S, Nagahora, H. | Deposit date: | 1996-11-13 | Release date: | 1997-05-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Importance of van der Waals contact between Glu 35 and Trp 109 to the catalytic action of human lysozyme. Protein Sci., 6, 1997
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1XE6
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![BU of 1xe6 by Molmil](/molmil-images/mine/1xe6) | Structure of plasmepsin II in complex of an pepstatin analogue | Descriptor: | 5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID, Plasmepsin 2 | Authors: | Prade, L. | Deposit date: | 2004-09-09 | Release date: | 2005-08-23 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of plasmepsin II in complex of an pepstatin analogue To be published
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1X6G
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![BU of 1x6g by Molmil](/molmil-images/mine/1x6g) | Solution structures of the SH3 domain of human megakaryocyte-associated tyrosine-protein kinase. | Descriptor: | Megakaryocyte-associated tyrosine-protein kinase | Authors: | Sato, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structures of the SH3 domain of human megakaryocyte-associated tyrosine-protein kinase. To be Published
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1JTO
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![BU of 1jto by Molmil](/molmil-images/mine/1jto) | Degenerate interfaces in antigen-antibody complexes | Descriptor: | Lysozyme, Vh Single-Domain Antibody | Authors: | Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L. | Deposit date: | 2001-08-21 | Release date: | 2001-10-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Degenerate interfaces in antigen-antibody complexes. J.Mol.Biol., 313, 2001
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2BPP
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3SD0
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2X7G
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![BU of 2x7g by Molmil](/molmil-images/mine/2x7g) | Structure of human serine-arginine-rich protein-specific kinase 2 (SRPK2) bound to purvalanol B | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PURVALANOL B, ... | Authors: | Pike, A.C.W, Savitsky, P, Fedorov, O, Krojer, T, Ugochukwu, E, von Delft, F, Gileadi, O, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2010-02-26 | Release date: | 2010-04-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Human Serine-Arginine-Rich Protein- Specific Kinase 2 (Srpk2) Bound to Purvalanol B To be Published
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2BPV
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![BU of 2bpv by Molmil](/molmil-images/mine/2bpv) | HIV-1 protease-inhibitor complex | Descriptor: | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE, HIV-1 PROTEASE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2X8D
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![BU of 2x8d by Molmil](/molmil-images/mine/2x8d) | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2010-03-08 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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1JVT
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2BTT
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2BWL
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![BU of 2bwl by Molmil](/molmil-images/mine/2bwl) | Murine angiogenin, phosphate complex | Descriptor: | ANGIOGENIN, PHOSPHATE ION | Authors: | Holloway, D.E, Chavali, G.B, Hares, M.C, Subramanian, V, Acharya, K.R. | Deposit date: | 2005-07-15 | Release date: | 2005-11-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of Murine Angiogenin: Features of the Substrate- and Cell-Binding Regions and Prospects for Inhibitor-Binding Studies. Acta Crystallogr.,Sect.D, 61, 2005
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1K1I
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![BU of 1k1i by Molmil](/molmil-images/mine/1k1i) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID, TRYPSIN | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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2C4L
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![BU of 2c4l by Molmil](/molmil-images/mine/2c4l) | Structure of Neuraminidase Subtype N9 Complexed with 30 MM Sialic Acid (NANA, NEU5AC), Crystal Soaked for 24 Hours at 291 K and Finally Backsoaked for 30 Min in a Cryoprotectant Solution which did not contain NEU5AC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ... | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | Deposit date: | 2005-10-20 | Release date: | 2007-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Crystal Structure of Influenza Type a Virus Neuraminidase of the N6 Subtype at 1.85 A Resolution To be Published
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1K1L
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![BU of 1k1l by Molmil](/molmil-images/mine/1k1l) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDINO-L-PHENYLALANINE PIPERAZIDE, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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