1K9R
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![BU of 1k9r by Molmil](/molmil-images/mine/1k9r) | YAP65 WW domain complexed to Acetyl-PLPPY | Descriptor: | 65 kDa Yes-associated protein, WW domain binding protein-1 | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | Deposit date: | 2001-10-30 | Release date: | 2001-12-28 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope. J.Mol.Biol., 314, 2001
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2D5X
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![BU of 2d5x by Molmil](/molmil-images/mine/2d5x) | Crystal structure of carbonmonoxy horse hemoglobin complexed with L35 | Descriptor: | 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID, CARBON MONOXIDE, Hemoglobin alpha 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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2D60
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![BU of 2d60 by Molmil](/molmil-images/mine/2d60) | Crystal structure of deoxy human hemoglobin complexed with two 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 (1.7 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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3BFO
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![BU of 3bfo by Molmil](/molmil-images/mine/3bfo) | Crystal structure of Ig-like C2-type 2 domain of the human Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | Descriptor: | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Isoform 2) | Authors: | Walker, J.R, Akutsu, M, Littler, D.R, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-22 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure of the Ig-like C2-type 2 domain of the human Mucosa-associated lymphoid tissue lymphoma translocation protein 1. To be Published
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3O2X
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![BU of 3o2x by Molmil](/molmil-images/mine/3o2x) | MMP-13 in complex with selective tetrazole core inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Collagenase 3, ... | Authors: | Kiefer, J.R, Barta, T.E, Becker, D.P, Mathis, K.J, Williams, J. | Deposit date: | 2010-07-22 | Release date: | 2011-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MMP-13 in complex with selective tetrazole core inhibitor To be Published
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3BAJ
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![BU of 3baj by Molmil](/molmil-images/mine/3baj) | Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, CALCIUM ION, ... | Authors: | Fredriksen, J.R, Maurus, R, Brayer, G.D. | Deposit date: | 2007-11-07 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity Biochemistry, 47, 2008
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3O8C
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![BU of 3o8c by Molmil](/molmil-images/mine/3o8c) | |
3O8D
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![BU of 3o8d by Molmil](/molmil-images/mine/3o8d) | |
3B95
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![BU of 3b95 by Molmil](/molmil-images/mine/3b95) | EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 2) | Descriptor: | Euchromatic histone-lysine N-methyltransferase 1, Histone H3 N-terminal Peptide, SULFATE ION | Authors: | Collins, R.E, Horton, J.R, Cheng, X. | Deposit date: | 2007-11-02 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The ankyrin repeats of G9a and GLP histone methyltransferases are mono- and dimethyllysine binding modules. Nat.Struct.Mol.Biol., 15, 2008
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3BG4
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![BU of 3bg4 by Molmil](/molmil-images/mine/3bg4) | The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | Authors: | Kim, H, Chu, T.T.T, Kim, D.Y, Kim, D.R, Nguyen, C.M.T, Choi, J, Lee, J.R, Hahn, M.J, Kim, K.K. | Deposit date: | 2007-11-26 | Release date: | 2008-07-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor. J.Mol.Biol., 376, 2008
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2A7L
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![BU of 2a7l by Molmil](/molmil-images/mine/2a7l) | Structure of the human hypothetical ubiquitin-conjugating enzyme, LOC55284 | Descriptor: | Hypothetical ubiquitin-conjugating enzyme LOC55284, SODIUM ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-07-05 | Release date: | 2005-09-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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3F5X
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![BU of 3f5x by Molmil](/molmil-images/mine/3f5x) | CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site | Descriptor: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | Deposit date: | 2008-11-04 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor. Bioorg.Med.Chem.Lett., 19, 2009
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1GJ9
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![BU of 1gj9 by Molmil](/molmil-images/mine/1gj9) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-30 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GJ6
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![BU of 1gj6 by Molmil](/molmil-images/mine/1gj6) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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3F0N
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![BU of 3f0n by Molmil](/molmil-images/mine/3f0n) | Mus Musculus Mevalonate Pyrophosphate Decarboxylase | Descriptor: | MEVALONATE PYROPHOSPHATE DECARBOXYLASE, PHOSPHATE ION | Authors: | Walker, J.R, Davis, T, Vesterberg, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-10-25 | Release date: | 2008-11-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Mus Musculus Mevalonate Pyrophosphate Decarboxylase To be Published
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3KVA
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![BU of 3kva by Molmil](/molmil-images/mine/3kva) | Structure of KIAA1718 Jumonji domain in complex with alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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1GJA
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![BU of 1gja by Molmil](/molmil-images/mine/1gja) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | CITRIC ACID, N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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1GJ8
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![BU of 1gj8 by Molmil](/molmil-images/mine/1gj8) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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3F5K
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![BU of 3f5k by Molmil](/molmil-images/mine/3f5k) | Semi-active E176Q mutant of rice BGlu1, a plant exoglucanase/beta-glucosidase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase, GLYCEROL, ... | Authors: | Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J. | Deposit date: | 2008-11-03 | Release date: | 2009-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase J.Struct.Biol., 173, 2011
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1GJ5
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![BU of 1gj5 by Molmil](/molmil-images/mine/1gj5) | SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | Descriptor: | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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3KV6
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![BU of 3kv6 by Molmil](/molmil-images/mine/3kv6) | Structure of KIAA1718, human Jumonji demethylase, in complex with alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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1GMY
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![BU of 1gmy by Molmil](/molmil-images/mine/1gmy) | Cathepsin B complexed with dipeptidyl nitrile inhibitor | Descriptor: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | Authors: | Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K. | Deposit date: | 2001-09-25 | Release date: | 2002-09-19 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design J.Med.Chem., 44, 2001
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2ADT
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![BU of 2adt by Molmil](/molmil-images/mine/2adt) | NMR structure of a 30 kDa GAAA tetraloop-receptor complex. | Descriptor: | 43-MER | Authors: | Davis, J.H, Tonelli, M, Scott, L.G, Jaeger, L, Williamson, J.R, Butcher, S.E. | Deposit date: | 2005-07-20 | Release date: | 2005-07-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | RNA Helical Packing in Solution: NMR Structure of a 30 kDa GAAA Tetraloop-Receptor Complex J.Mol.Biol., 351, 2005
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3KRY
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![BU of 3kry by Molmil](/molmil-images/mine/3kry) | Crystal structure of MMP-13 in complex with SC-78080 | Descriptor: | 1-(2-methoxyethyl)-N-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide, CALCIUM ION, Collagenase 3, ... | Authors: | Kiefer, J.R, Williams, J.M, Becker, D.P. | Deposit date: | 2009-11-19 | Release date: | 2010-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orally-active MMP-1 sparing alpha-tetrahydropyranyl and alpha-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease J.Med.Chem., 53, 2010
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3L1Y
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![BU of 3l1y by Molmil](/molmil-images/mine/3l1y) | |