4JOA
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![BU of 4joa by Molmil](/molmil-images/mine/4joa) | Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | 分子名称: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | 著者 | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | 登録日 | 2013-03-18 | 公開日 | 2013-07-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode Bioorg.Med.Chem.Lett., 23, 2013
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4JF5
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![BU of 4jf5 by Molmil](/molmil-images/mine/4jf5) | Structure of OXA-23 at pH 4.1 | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION | 著者 | Smith, C.A, Vakulenko, S.B. | 登録日 | 2013-02-27 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii. Chem.Biol., 20, 2013
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1SO8
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![BU of 1so8 by Molmil](/molmil-images/mine/1so8) | Abeta-bound human ABAD structure [also known as 3-hydroxyacyl-CoA dehydrogenase type II (Type II HADH), Endoplasmic reticulum-associated amyloid beta-peptide binding protein (ERAB)] | 分子名称: | 3-hydroxyacyl-CoA dehydrogenase type II, CHLORIDE ION, SODIUM ION | 著者 | Lustbader, J.W, Cirilli, M, Wu, H. | 登録日 | 2004-03-13 | 公開日 | 2004-05-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | ABAD directly links Abeta to mitochondrial toxicity in Alzheimer's disease. Science, 304, 2004
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4BL2
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![BU of 4bl2 by Molmil](/molmil-images/mine/4bl2) | |
3VFF
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![BU of 3vff by Molmil](/molmil-images/mine/3vff) | |
4CPK
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![BU of 4cpk by Molmil](/molmil-images/mine/4cpk) | Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA | 分子名称: | CADMIUM ION, CHLORIDE ION, Penicillin binding protein 2 prime, ... | 著者 | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | 登録日 | 2014-02-07 | 公開日 | 2014-09-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc., 136, 2014
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4BL3
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![BU of 4bl3 by Molmil](/molmil-images/mine/4bl3) | Crystal structure of PBP2a clinical mutant N146K from MRSA | 分子名称: | CADMIUM ION, CHLORIDE ION, PENICILLIN BINDING PROTEIN 2 PRIME, ... | 著者 | Otero, L.H, Rojas-Altuve, A, Carrasco-Lopez, C, Hermoso, J.A. | 登録日 | 2013-04-30 | 公開日 | 2014-05-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc., 136, 2014
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3VFH
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4NKN
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4O97
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![BU of 4o97 by Molmil](/molmil-images/mine/4o97) | Crystal structure of matriptase in complex with inhibitor | 分子名称: | N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | 著者 | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | 登録日 | 2014-01-02 | 公開日 | 2014-05-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg.Med.Chem., 22, 2014
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4O9V
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![BU of 4o9v by Molmil](/molmil-images/mine/4o9v) | Crystal structure of matriptase in complex with inhibitor | 分子名称: | N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | 著者 | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | 登録日 | 2014-01-03 | 公開日 | 2014-05-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg.Med.Chem., 22, 2014
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4OE9
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![BU of 4oe9 by Molmil](/molmil-images/mine/4oe9) | |
7JTZ
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![BU of 7jtz by Molmil](/molmil-images/mine/7jtz) | Yeast Glo3 GAP domain | 分子名称: | ADP-ribosylation factor GTPase-activating protein GLO3, GLYCEROL, ZINC ION | 著者 | Xie, B, Jackson, L.P. | 登録日 | 2020-08-18 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | The Glo3 GAP crystal structure supports the molecular niche model for ArfGAPs in COPI coats. Adv Biol Regul, 79, 2021
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3K35
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![BU of 3k35 by Molmil](/molmil-images/mine/3k35) | Crystal Structure of Human SIRT6 | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-6, SULFATE ION, ... | 著者 | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | 登録日 | 2009-10-01 | 公開日 | 2009-12-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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2OOZ
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![BU of 2ooz by Molmil](/molmil-images/mine/2ooz) | Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group) | 分子名称: | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Crichlow, G.V, Al-Abed, Y, Lolis, E. | 登録日 | 2007-01-26 | 公開日 | 2007-06-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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2OOH
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![BU of 2ooh by Molmil](/molmil-images/mine/2ooh) | Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11 | 分子名称: | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, Macrophage migration inhibitory factor, ... | 著者 | Crichlow, G.V, Al-Abed, Y, Lolis, E. | 登録日 | 2007-01-25 | 公開日 | 2007-06-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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3PKI
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![BU of 3pki by Molmil](/molmil-images/mine/3pki) | Human SIRT6 crystal structure in complex with ADP ribose | 分子名称: | NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... | 著者 | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | 登録日 | 2010-11-11 | 公開日 | 2011-01-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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2OOW
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![BU of 2oow by Molmil](/molmil-images/mine/2oow) | MIF Bound to a Fluorinated OXIM Derivative | 分子名称: | 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Crichlow, G.V, Al-Abed, Y, Lolis, E. | 登録日 | 2007-01-26 | 公開日 | 2007-06-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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6BTZ
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![BU of 6btz by Molmil](/molmil-images/mine/6btz) | Crystal structure of the PI3KC2alpha C2 domain in space group C121 | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, GLYCEROL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ... | 著者 | Chen, K.-E, Collins, B.M. | 登録日 | 2017-12-08 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha. Structure, 26, 2018
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6BTY
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![BU of 6bty by Molmil](/molmil-images/mine/6bty) | Crystal structure of the PI3KC2alpha C2 domain in space group P41212 | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | 著者 | Chen, K.-E, Collins, B.M. | 登録日 | 2017-12-08 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.678 Å) | 主引用文献 | Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha. Structure, 26, 2018
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3PKJ
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![BU of 3pkj by Molmil](/molmil-images/mine/3pkj) | Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose | 分子名称: | NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... | 著者 | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | 登録日 | 2010-11-11 | 公開日 | 2011-01-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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3PNW
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![BU of 3pnw by Molmil](/molmil-images/mine/3pnw) | Crystal Structure of the tudor domain of human TDRD3 in complex with an anti-TDRD3 FAB | 分子名称: | FAB heavy chain, FAB light chain, Tudor domain-containing protein 3, ... | 著者 | Loppnau, P, Tempel, W, Wernimont, A.K, Lam, R, Ravichandran, M, Adams-Cioaba, M.A, Persson, H, Sidhu, S.S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Cossar, D, Structural Genomics Consortium (SGC) | 登録日 | 2010-11-19 | 公開日 | 2010-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | CDR-H3 Diversity Is Not Required for Antigen Recognition by Synthetic Antibodies. J.Mol.Biol., 425, 2013
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4JZI
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![BU of 4jzi by Molmil](/molmil-images/mine/4jzi) | Crystal Structure of Matriptase in complex with Inhibitor". | 分子名称: | N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide, Suppressor of tumorigenicity 14 protein | 著者 | Subramanya, H.S, Chandra, R.B, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | 登録日 | 2013-04-03 | 公開日 | 2014-02-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
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6BU0
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![BU of 6bu0 by Molmil](/molmil-images/mine/6bu0) | Crystal structure of the PI3KC2alpha C2 domain in complex with IP6 | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, FORMIC ACID, INOSITOL HEXAKISPHOSPHATE, ... | 著者 | Chen, K.-E, Collins, B.M. | 登録日 | 2017-12-08 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.427 Å) | 主引用文献 | Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha. Structure, 26, 2018
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6BUB
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![BU of 6bub by Molmil](/molmil-images/mine/6bub) | |