1OYQ
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![BU of 1oyq by Molmil](/molmil-images/mine/1oyq) | TRYPSIN INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, SULFATE ION, Trypsin, ... | Authors: | Nar, H. | Deposit date: | 2003-04-07 | Release date: | 2003-04-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Inhibition Promiscuity of Dual Specific Thrombin and Factor Xa Blood Coagulation Inhibitors Structure, 9, 2001
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1OKX
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![BU of 1okx by Molmil](/molmil-images/mine/1okx) | Binding Structure of Elastase Inhibitor Scyptolin A | Descriptor: | ELASTASE 1, SCYPTOLIN A | Authors: | Matern, U, Schleberger, C, Jelakovic, S, Weckesser, J, Schulz, G.E. | Deposit date: | 2003-07-31 | Release date: | 2003-10-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structure of Elastase Inhibitor Scyptolin A Chem.Biol., 10, 2003
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1P05
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1OWK
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![BU of 1owk by Molmil](/molmil-images/mine/1owk) | Substituted 2-Naphthamidine Inhibitors of Urokinase | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator | Authors: | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | Deposit date: | 2003-03-28 | Release date: | 2003-09-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution. J.Med.Chem., 47, 2004
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1OP2
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![BU of 1op2 by Molmil](/molmil-images/mine/1op2) | Crystal Structure of AaV-SP-II, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase | Authors: | Zhu, Z, Teng, M, Niu, L. | Deposit date: | 2003-03-04 | Release date: | 2004-05-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases J.BIOL.CHEM., 280, 2005
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1OWJ
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![BU of 1owj by Molmil](/molmil-images/mine/1owj) | Substituted 2-Naphthamidine Inhibitors of Urokinase | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator | Authors: | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | Deposit date: | 2003-03-28 | Release date: | 2003-09-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution. J.Med.Chem., 47, 2004
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1OXG
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![BU of 1oxg by Molmil](/molmil-images/mine/1oxg) | Crystal structure of a complex formed between organic solvent treated bovine alpha-chymotrypsin and its autocatalytically produced highly potent 14-residue peptide at 2.2 resolution | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Singh, N, Jabeen, T, Sharma, S, Roy, I, Gupta, M.N, Bilgrami, S, Singh, T.P. | Deposit date: | 2003-04-02 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Detection of native peptides as potent inhibitors of enzymes. Crystal structure of the complex formed between treated bovine alpha-chymotrypsin and an autocatalytically produced fragment, IIe-Val-Asn-Gly-Glu-Glu-Ala-Val-Pro-Gly-Ser-Trp-Pro-Trp, at 2.2 angstroms resolution. Febs J., 272, 2005
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1ORF
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![BU of 1orf by Molmil](/molmil-images/mine/1orf) | The Oligomeric Structure of Human Granzyme A Reveals the Molecular Determinants of Substrate Specificity | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Granzyme A, SULFATE ION | Authors: | Bell, J.K, Goetz, D.H, Mahrus, S, Harris, J.L, Fletterick, R.J, Craik, C.S. | Deposit date: | 2003-03-12 | Release date: | 2003-07-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The oligomeric structure of human granzyme A is a determinant of its extended substrate specificity. Nat.Struct.Biol., 10, 2003
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1OS8
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![BU of 1os8 by Molmil](/molmil-images/mine/1os8) | RECOMBINANT STREPTOMYCES GRISEUS TRYPSIN | Descriptor: | CALCIUM ION, SULFATE ION, trypsin | Authors: | Page, M.J, Wong, S.L, Hewitt, J, Strynadka, N.C, MacGillivray, R.T. | Deposit date: | 2003-03-18 | Release date: | 2003-08-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Engineering the Primary Substrate Specificity of Streptomyces griseus Trypsin. Biochemistry, 42, 2003
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1PPC
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![BU of 1ppc by Molmil](/molmil-images/mine/1ppc) | GEOMETRY OF BINDING OF THE BENZAMIDINE-AND ARGININE-BASED INHIBITORS N-ALPHA-(2-NAPHTHYL-SULPHONYL-GLYCYL)-DL-P-AMIDINOPHENYLALANYL-PIPERIDINE (NAPAP) AND (2R,4R)-4-METHYL-1-[N-ALPHA-(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINESULPHONYL)-L-ARGINYL]-2-PIPERIDINE CARBOXYLIC ACID (MQPA) TO HUMAN ALPHA-THROMBIN: X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE NAPAP-TRYPSIN COMPLEX AND MODELING OF NAPAP-THROMBIN AND MQPA-THROMBIN | Descriptor: | 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, CALCIUM ION, TRYPSIN | Authors: | Bode, W, Turk, D. | Deposit date: | 1991-10-24 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydr quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin.X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin. Eur.J.Biochem., 193, 1990
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1PQA
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![BU of 1pqa by Molmil](/molmil-images/mine/1pqa) | Trypsin with PMSF at atomic resolution | Descriptor: | SULFATE ION, Trypsin | Authors: | Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S. | Deposit date: | 2003-06-18 | Release date: | 2003-11-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS. J.Biol.Chem., 278, 2003
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1LMW
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![BU of 1lmw by Molmil](/molmil-images/mine/1lmw) | LMW U-PA Structure complexed with EGRCMK (GLU-GLY-ARG Chloromethyl Ketone) | Descriptor: | L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Spraggon, G.S, Phillips, C, Nowak, U.K, Ponting, C.P, Saunders, D, Dobson, C.M, Stuart, D.I, Jones, E.Y. | Deposit date: | 1995-07-26 | Release date: | 1996-01-29 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of the catalytic domain of human urokinase-type plasminogen activator. Structure, 3, 1995
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1LTO
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![BU of 1lto by Molmil](/molmil-images/mine/1lto) | Human alpha1-tryptase | Descriptor: | alpha tryptase I | Authors: | Marquardt, U, Zettl, F, Huber, R, Bode, W, Sommerhoff, C.P. | Deposit date: | 2002-05-20 | Release date: | 2003-05-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of Human alpha1-Tryptase Reveals a Blocked Substrate-binding Region J.MOL.BIOL., 321, 2002
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1NES
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![BU of 1nes by Molmil](/molmil-images/mine/1nes) | STRUCTURE OF THE PRODUCT COMPLEX OF ACETYL-ALA-PRO-ALA WITH PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION | Descriptor: | ACETYL-ALA-PRO-ALA, CALCIUM ION, ELASTASE, ... | Authors: | Meyer Junior, E.F, Radhakrishnan, R, M Cole, G, Presta, L.G. | Deposit date: | 1995-07-31 | Release date: | 1996-01-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution. J.Mol.Biol., 189, 1986
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1PPG
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![BU of 1ppg by Molmil](/molmil-images/mine/1ppg) | The refined 2.3 angstroms crystal structure of human leukocyte elastase in a complex with a valine chloromethyl ketone inhibitor | Descriptor: | HUMAN LEUKOCYTE ELASTASE, MEO-SUCCINYL-ALA-ALA-PRO-VAL CHLOROMETHYLKETONE, alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bode, W, Wei, A-Z. | Deposit date: | 1991-10-24 | Release date: | 1994-01-31 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The refined 2.3 A crystal structure of human leukocyte elastase in a complex with a valine chloromethyl ketone inhibitor. FEBS Lett., 234, 1988
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1PPZ
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![BU of 1ppz by Molmil](/molmil-images/mine/1ppz) | Trypsin complexes at atomic and ultra-high resolution | Descriptor: | SULFATE ION, Trypsin | Authors: | Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S. | Deposit date: | 2003-06-17 | Release date: | 2003-11-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS. J.Biol.Chem., 278, 2003
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1PQ8
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![BU of 1pq8 by Molmil](/molmil-images/mine/1pq8) | Trypsin at pH 4 at atomic resolution | Descriptor: | CITRIC ACID, GLY-GLY-ARG PEPTIDE, LYSINE, ... | Authors: | Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S. | Deposit date: | 2003-06-18 | Release date: | 2003-11-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS. J.Biol.Chem., 278, 2003
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1PQ5
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![BU of 1pq5 by Molmil](/molmil-images/mine/1pq5) | Trypsin at pH 5, 0.85 A | Descriptor: | ARGININE, SULFATE ION, Trypsin | Authors: | Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S. | Deposit date: | 2003-06-18 | Release date: | 2003-11-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS. J.Biol.Chem., 278, 2003
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3X2V
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![BU of 3x2v by Molmil](/molmil-images/mine/3x2v) | Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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3WZJ
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![BU of 3wzj by Molmil](/molmil-images/mine/3wzj) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide | Descriptor: | 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | Deposit date: | 2014-09-29 | Release date: | 2015-02-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. J.Med.Chem., 58, 2015
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4EQU
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![BU of 4equ by Molmil](/molmil-images/mine/4equ) | Human STK-10 (LOK) kinase domain in DFG-out conformation with inhibitor DSA-7 | Descriptor: | CALCIUM ION, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide, PENTAETHYLENE GLYCOL, ... | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2012-04-19 | Release date: | 2012-11-07 | Last modified: | 2012-12-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Affinity-Based Probes Based on Type II Kinase Inhibitors. J.Am.Chem.Soc., 134, 2012
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4E5B
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![BU of 4e5b by Molmil](/molmil-images/mine/4e5b) | |
3X2U
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![BU of 3x2u by Molmil](/molmil-images/mine/3x2u) | Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ... | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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4EH3
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![BU of 4eh3 by Molmil](/molmil-images/mine/4eh3) | Human p38 MAP kinase in complex with NP-F2 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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3ZSI
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![BU of 3zsi by Molmil](/molmil-images/mine/3zsi) | X-ray structure of p38alpha bound to VX-745 | Descriptor: | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 14, octyl beta-D-glucopyranoside | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-28 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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