3N1W
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![BU of 3n1w by Molmil](/molmil-images/mine/3n1w) | Human FPPS COMPLEX WITH FBS_02 | 分子名称: | (5-chloro-1-benzothiophen-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | 著者 | Rondeau, J.-M. | 登録日 | 2010-05-17 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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6BSM
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![BU of 6bsm by Molmil](/molmil-images/mine/6bsm) | BMP1 complexed with a reverse hydroxamate - compound 4 | 分子名称: | Bone morphogenetic protein 1, N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide, ZINC ION | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-04 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
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6BTO
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![BU of 6bto by Molmil](/molmil-images/mine/6bto) | BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid | 分子名称: | (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
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7B17
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![BU of 7b17 by Molmil](/molmil-images/mine/7b17) | SARS-CoV-spike RBD bound to two neutralising nanobodies. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama,SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama, Spike protein S1 | 著者 | Hallberg, B.M, Das, H. | 登録日 | 2020-11-23 | 公開日 | 2021-02-10 | 最終更新日 | 2022-12-21 | 実験手法 | ELECTRON MICROSCOPY (4.01 Å) | 主引用文献 | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape Science, 371, 2021
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7B14
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7B18
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![BU of 7b18 by Molmil](/molmil-images/mine/7b18) | SARS-CoV-spike bound to two neutralising nanobodies | 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, Nanobody against SARS-CoV-2 VHH E, ... | 著者 | Hallberg, B.M, Das, H. | 登録日 | 2020-11-24 | 公開日 | 2021-04-28 | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | 主引用文献 | Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape. Science, 371, 2021
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1H2O
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![BU of 1h2o by Molmil](/molmil-images/mine/1h2o) | SOLUTION STRUCTURE OF THE MAJOR CHERRY ALLERGEN PRU AV 1 MUTANT E45W | 分子名称: | MAJOR ALLERGEN PRU AV 1 | 著者 | Neudecker, P, Lehmann, K, Nerkamp, J, Schweimer, K, Sticht, H, Boehm, M, Scheurer, S, Vieths, S, Roesch, P. | 登録日 | 2002-08-12 | 公開日 | 2003-08-28 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Mutational Epitope Analysis of Pru Av 1 and Api G 1, the Major Allergens of Cherry (Prunus Avium) and Celery (Apium Graveolens): Correlating Ige Reactivity with Three-Dimensional Structure Biochem.J., 376, 2003
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5D11
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![BU of 5d11 by Molmil](/molmil-images/mine/5d11) | Kinase domain of cSrc in complex with RL235 | 分子名称: | GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Becker, C, Gruetter, C, Engel, J, Rauh, D. | 登録日 | 2015-08-03 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. J.Med.Chem., 58, 2015
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5D10
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![BU of 5d10 by Molmil](/molmil-images/mine/5d10) | Kinase domain of cSrc in complex with RL236 | 分子名称: | N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Becker, C, Mayer-Wrangowski, S.C, Julian, E, Rauh, D. | 登録日 | 2015-08-03 | 公開日 | 2015-09-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. J.Med.Chem., 58, 2015
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5D12
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![BU of 5d12 by Molmil](/molmil-images/mine/5d12) | Kinase domain of cSrc in complex with RL40 | 分子名称: | N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Becker, C, Richters, A, Engel, J, Rauh, D. | 登録日 | 2015-08-03 | 公開日 | 2015-09-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. J.Med.Chem., 58, 2015
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3M0E
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![BU of 3m0e by Molmil](/molmil-images/mine/3m0e) | Crystal structure of the ATP-bound state of Walker B mutant of NtrC1 ATPase domain | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family) | 著者 | Chen, B, Sysoeva, T.A, Chowdhury, S, Rusu, M, Birmanns, S, Guo, L, Hanson, J, Yang, H, Nixon, B.T. | 登録日 | 2010-03-02 | 公開日 | 2010-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Engagement of Arginine Finger to ATP Triggers Large Conformational Changes in NtrC1 AAA+ ATPase for Remodeling Bacterial RNA Polymerase. Structure, 18, 2010
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1C8K
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![BU of 1c8k by Molmil](/molmil-images/mine/1c8k) | FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE | 分子名称: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | 著者 | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | 登録日 | 2000-05-11 | 公開日 | 2000-05-24 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site. J.Biol.Chem., 275, 2000
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1C50
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![BU of 1c50 by Molmil](/molmil-images/mine/1c50) | IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF A NOVEL ALLOSTERIC BINDING SITE OF GLYCOGEN PHOSPHORYLASE B | 分子名称: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | 著者 | Oikonomakos, N.G, Skamnaki, V.T, Tsitsanou, K.E, Gavalas, N.G, Johnson, L.N. | 登録日 | 1999-12-15 | 公開日 | 1999-12-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A new allosteric site in glycogen phosphorylase b as a target for drug interactions. Structure Fold.Des., 8, 2000
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1C8L
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![BU of 1c8l by Molmil](/molmil-images/mine/1c8l) | SYNERGISTIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG AND CAFFEINE | 分子名称: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, CAFFEINE, GLYCEROL, ... | 著者 | Tsitsanou, K.E, Skamnaki, V.T, Oikonomakos, N.G. | 登録日 | 2000-05-16 | 公開日 | 2000-05-31 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis of the synergistic inhibition of glycogen phosphorylase a by caffeine and a potential antidiabetic drug. Arch.Biochem.Biophys., 384, 2000
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2HAL
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![BU of 2hal by Molmil](/molmil-images/mine/2hal) | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | 分子名称: | Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE | 著者 | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | 登録日 | 2006-06-13 | 公開日 | 2006-08-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors. J.Mol.Biol., 361, 2006
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2HV9
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1QA7
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![BU of 1qa7 by Molmil](/molmil-images/mine/1qa7) | CRYSTAL COMPLEX OF THE 3C PROTEINASE FROM HEPATITIS A VIRUS WITH ITS INHIBITOR AND IMPLICATIONS FOR THE POLYPROTEIN PROCESSING IN HAV | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, HAV 3C PROTEINASE, ... | 著者 | Bergmann, E.M, Cherney, M.M, Mckendrick, J, Vederas, J.C, James, M.N.G. | 登録日 | 1999-04-15 | 公開日 | 1999-04-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of an inhibitor complex of the 3C proteinase from hepatitis A virus (HAV) and implications for the polyprotein processing in HAV. Virology, 265, 1999
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4OBZ
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![BU of 4obz by Molmil](/molmil-images/mine/4obz) | Structure of Cathepsin D with inhibitor 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide | 分子名称: | 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | 登録日 | 2014-01-08 | 公開日 | 2014-08-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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3O39
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6Q7A
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3CEK
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![BU of 3cek by Molmil](/molmil-images/mine/3cek) | Crystal structure of human dual specificity protein kinase (TTK) | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | 著者 | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Roos, A, Pilka, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2008-02-29 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat.Chem.Biol., 6, 2010
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6Q6O
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6Q7H
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6Q6M
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3SD5
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![BU of 3sd5 by Molmil](/molmil-images/mine/3sd5) | Crystal Structure of PI3K gamma with 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine | 分子名称: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Knapp, M.S, Elling, R.A. | 登録日 | 2011-06-08 | 公開日 | 2012-01-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Identification and Characterization of NVP-BKM120, an Orally Available Pan-Class I PI3-Kinase Inhibitor. Mol.Cancer Ther., 11, 2012
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