3SBK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sbk by Molmil](/molmil-images/mine/3sbk) | Russell's viper venom serine proteinase, RVV-V (PPACK-bound form) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Vipera russelli proteinase RVV-V gamma | 著者 | Nakayama, D, Ben Ammar, Y, Takeda, S. | 登録日 | 2011-06-05 | 公開日 | 2011-09-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structural basis of coagulation factor V recognition for cleavage by RVV-V Febs Lett., 585, 2011
|
|
3S9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s9c by Molmil](/molmil-images/mine/3s9c) | Russell's viper venom serine proteinase, RVV-V in complex with the fragment (residues 1533-1546) of human factor V | 分子名称: | ACETATE ION, Coagulation factor V, Vipera russelli proteinase RVV-V gamma, ... | 著者 | Nakayama, D, Ben Ammar, Y, Takeda, S. | 登録日 | 2011-06-01 | 公開日 | 2011-09-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis of coagulation factor V recognition for cleavage by RVV-V Febs Lett., 585, 2011
|
|
3S9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s9a by Molmil](/molmil-images/mine/3s9a) | |
3S9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s9b by Molmil](/molmil-images/mine/3s9b) | |
3VN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vn4 by Molmil](/molmil-images/mine/3vn4) | Crystal structure of the exosite-containing fragment of human ADAMTS13 (P475S mutant) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A disintegrin and metalloproteinase with thrombospondin motifs 13, ... | 著者 | Nakayama, D, Akiyama, M, Takeda, S, Kokame, K, Takagi, J, Miyata, T. | 登録日 | 2011-12-21 | 公開日 | 2012-12-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural analysis and biochemical studies of ADAMTS13 P475S mutant To be Published
|
|
4B6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b6l by Molmil](/molmil-images/mine/4b6l) | Discovery of Oral Polo-Like Kinase (PLK) Inhibitors with Enhanced Selectivity Profile using Residue Targeted Drug Design | 分子名称: | 4-[[(4R)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-3-methoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PLK3, SULFATE ION | 著者 | Brown, K, Charrier, J.D, Durrant, S, Griffiths, M, Hudson, C, Kay, D, Knegtel, R, ODonnell, M, Pierard, F, Twin, H, Weber, P, Young, S. | 登録日 | 2012-08-14 | 公開日 | 2013-08-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Oral Polo-Like Kinase (Plk) Inhibitors with Enhanced Selectivity Profile Using Residue Targeted Drug Design To be Published
|
|
5YX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yx1 by Molmil](/molmil-images/mine/5yx1) | Crystal structure of hematopoietic prostaglandin D synthase in complex with U004 | 分子名称: | GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ... | 著者 | Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Urade, Y, Takaya, D, Tanaka, A. | 登録日 | 2017-12-01 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Crystal structure of hematopoietic prostaglandin D synthase in complex with U004 To Be Published
|
|
2F6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2f6f by Molmil](/molmil-images/mine/2f6f) | The structure of the S295F mutant of human PTP1B | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein phosphatase, ... | 著者 | Montalibet, J, Skorey, K, McKay, D, Scapin, G, Asante-Appiah, E, Kennedy, B.P. | 登録日 | 2005-11-29 | 公開日 | 2005-12-06 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Residues distant from the active site influence protein-tyrosine phosphatase 1B inhibitor binding. J.Biol.Chem., 281, 2006
|
|
5YVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yvb by Molmil](/molmil-images/mine/5yvb) | Structure of CaMKK2 in complex with CKI-011 | 分子名称: | (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
|
|
5YV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yv9 by Molmil](/molmil-images/mine/5yv9) | Structure of CaMKK2 in complex with CKI-009 | 分子名称: | 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
|
|
5YV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yv8 by Molmil](/molmil-images/mine/5yv8) | Structure of CaMKK2 in complex with CKI-002 | 分子名称: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.927 Å) | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
|
|
5YVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yvc by Molmil](/molmil-images/mine/5yvc) | Structure of CaMKK2 in complex with CKI-012 | 分子名称: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
|
|
5YVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yva by Molmil](/molmil-images/mine/5yva) | Structure of CaMKK2 in complex with CKI-010 | 分子名称: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2020-06-10 | 実験手法 | X-RAY DIFFRACTION (2.574 Å) | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
|
|
5YWX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ywx by Molmil](/molmil-images/mine/5ywx) | Crystal structure of hematopoietic prostaglandin D synthase in complex with F092 | 分子名称: | GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ... | 著者 | Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A. | 登録日 | 2017-11-30 | 公開日 | 2018-09-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies. Bioorg. Med. Chem., 26, 2018
|
|
1IKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ikq by Molmil](/molmil-images/mine/1ikq) | Pseudomonas Aeruginosa Exotoxin A, wild type | 分子名称: | CHLORIDE ION, EXOTOXIN A, SODIUM ION | 著者 | McKay, D.B, Wedekind, J.E, Trame, C.B. | 登録日 | 2001-05-04 | 公開日 | 2001-12-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A
and its Implications for the Molecular Mechanism of Toxicity J.Mol.Biol., 314, 2001
|
|
5SVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5svn by Molmil](/molmil-images/mine/5svn) | Structure of IDH2 mutant R172K | 分子名称: | DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ... | 著者 | Xie, X, Kulathila, R. | 登録日 | 2016-08-06 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
|
|
5SUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sun by Molmil](/molmil-images/mine/5sun) | IDH1 R132H in complex with IDH146 | 分子名称: | 1,2-ETHANEDIOL, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | 著者 | Xie, X, Kulathila, R. | 登録日 | 2016-08-03 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.477 Å) | 主引用文献 | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
|
|
5SVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5svf by Molmil](/molmil-images/mine/5svf) | IDH1 R132H in complex with IDH125 | 分子名称: | (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | 著者 | Xie, X, Kulathila, R. | 登録日 | 2016-08-05 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
|
|
5SVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5svo by Molmil](/molmil-images/mine/5svo) | Structure of IDH2 mutant R140Q | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ... | 著者 | Xie, X, Kulathila, R. | 登録日 | 2016-08-06 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
|
|
2X7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x7b by Molmil](/molmil-images/mine/2x7b) | Crystal structure of the N-terminal acetylase Ard1 from Sulfolobus solfataricus P2 | 分子名称: | CHLORIDE ION, COENZYME A, N-ACETYLTRANSFERASE SSO0209 | 著者 | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Mackay, D, White, M.F, Taylor, G.L, Naismith, J.H. | 登録日 | 2010-02-25 | 公開日 | 2010-07-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
|
|
6RZ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rz8 by Molmil](/molmil-images/mine/6rz8) | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, Cysteinyl leukotriene receptor 2,Soluble cytochrome b562,Cysteinyl leukotriene receptor 2, ... | 著者 | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | 登録日 | 2019-06-12 | 公開日 | 2019-12-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
|
|
6RZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rz6 by Molmil](/molmil-images/mine/6rz6) | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group) | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | 著者 | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | 登録日 | 2019-06-12 | 公開日 | 2019-12-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
|
|
6RZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rz7 by Molmil](/molmil-images/mine/6rz7) | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (F222 space group) | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | 著者 | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | 登録日 | 2019-06-12 | 公開日 | 2019-12-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
|
|
6RZ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rz9 by Molmil](/molmil-images/mine/6rz9) | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | 著者 | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | 登録日 | 2019-06-12 | 公開日 | 2019-12-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
|
|
3CWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cwe by Molmil](/molmil-images/mine/3cwe) | PTP1B in complex with a phosphonic acid inhibitor | 分子名称: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1, [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | 著者 | Scapin, G, Han, Y, Kennedy, B.P. | 登録日 | 2008-04-21 | 公開日 | 2008-06-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor Bioorg.Med.Chem.Lett., 18, 2008
|
|