6PXG
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6PXH
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![BU of 6pxh by Molmil](/molmil-images/mine/6pxh) | Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab | 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, DIHYDROFOLIC ACID, ... | 著者 | Wang, N, McLellan, J.S. | 登録日 | 2019-07-26 | 公開日 | 2019-09-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD. Cell Rep, 28, 2019
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6XP5
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![BU of 6xp5 by Molmil](/molmil-images/mine/6xp5) | Head-Middle module of Mediator | 分子名称: | HEAT, Med22, Mediator of RNA polymerase II transcription subunit 1, ... | 著者 | Zhang, H.Q, Chen, D.C, Kornberg, R.D. | 登録日 | 2020-07-08 | 公開日 | 2021-03-03 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Mediator structure and conformation change. Mol.Cell, 81, 2021
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6URM
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![BU of 6urm by Molmil](/molmil-images/mine/6urm) | Crystal structure of vaccine-elicited receptor-binding site targeting antibody LPAF-a.01 in complex with Hemagglutinin H1 A/California/04/2009 | 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, GLYCEROL, ... | 著者 | Zhou, T, Cheung, S.F, Kwong, P.D. | 登録日 | 2019-10-23 | 公開日 | 2020-09-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Identification and Structure of a Multidonor Class of Head-Directed Influenza-Neutralizing Antibodies Reveal the Mechanism for Its Recurrent Elicitation. Cell Rep, 32, 2020
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8FIU
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![BU of 8fiu by Molmil](/molmil-images/mine/8fiu) | Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold | 分子名称: | 1,2-ETHANEDIOL, HIV-1 capsid, N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | 著者 | Nolte, R.T. | 登録日 | 2022-12-16 | 公開日 | 2023-02-15 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold. J.Med.Chem., 66, 2023
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7R6Z
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![BU of 7r6z by Molmil](/molmil-images/mine/7r6z) | OXA-48 bound by Compound 3.3 | 分子名称: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | 登録日 | 2021-06-24 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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2R2J
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![BU of 2r2j by Molmil](/molmil-images/mine/2r2j) | crystal structure of human ERp44 | 分子名称: | FORMIC ACID, SUCCINIC ACID, Thioredoxin domain-containing protein 4 | 著者 | Wang, L.K, Li, S.J, Sun, F, Wang, C.C. | 登録日 | 2007-08-25 | 公開日 | 2008-07-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of human ERp44 shows a dynamic functional modulation by its carboxy-terminal tail. Embo Rep., 2008
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4AZN
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![BU of 4azn by Molmil](/molmil-images/mine/4azn) | Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag-mediated crystal packing | 分子名称: | FATTY ACID-BINDING PROTEIN, EPIDERMAL | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | 登録日 | 2012-06-26 | 公開日 | 2013-08-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter. Acta Crystallogr.,Sect.D, 70, 2014
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8HR2
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8H5U
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![BU of 8h5u by Molmil](/molmil-images/mine/8h5u) | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021 | 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 Nb-021, ... | 著者 | Yang, J, Lin, S, Lu, G.W. | 登録日 | 2022-10-13 | 公開日 | 2023-10-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization. Plos Pathog., 19, 2023
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8H5T
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4AZP
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![BU of 4azp by Molmil](/molmil-images/mine/4azp) | Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide | 分子名称: | CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ... | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | 登録日 | 2012-06-26 | 公開日 | 2013-08-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter. Acta Crystallogr.,Sect.D, 70, 2014
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4AZR
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![BU of 4azr by Molmil](/molmil-images/mine/4azr) | Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide | 分子名称: | CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ... | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | 登録日 | 2012-06-26 | 公開日 | 2013-08-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter. Acta Crystallogr.,Sect.D, 70, 2014
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4AZQ
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![BU of 4azq by Molmil](/molmil-images/mine/4azq) | Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid 2-arachidonoylglycerol | 分子名称: | 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate, CHLORIDE ION, FATTY ACID-BINDING PROTEIN, ... | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | 登録日 | 2012-06-26 | 公開日 | 2013-08-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter. Acta Crystallogr.,Sect.D, 70, 2014
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4AZO
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![BU of 4azo by Molmil](/molmil-images/mine/4azo) | Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag removed | 分子名称: | CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | 登録日 | 2012-06-26 | 公開日 | 2013-08-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter. Acta Crystallogr.,Sect.D, 70, 2014
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4AZM
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![BU of 4azm by Molmil](/molmil-images/mine/4azm) | Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413 | 分子名称: | ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ... | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | 登録日 | 2012-06-26 | 公開日 | 2013-08-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter. Acta Crystallogr.,Sect.D, 70, 2014
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6PZ8
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![BU of 6pz8 by Molmil](/molmil-images/mine/6pz8) | MERS S0 trimer in complex with variable domain of antibody G2 | 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, G2 heavy chain, ... | 著者 | Bowman, C.A, Pallesen, J, Ward, A.B. | 登録日 | 2019-07-31 | 公開日 | 2019-10-09 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.19 Å) | 主引用文献 | Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD. Cell Rep, 28, 2019
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8GXP
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![BU of 8gxp by Molmil](/molmil-images/mine/8gxp) | Complex structure of RORgama with betulinic acid | 分子名称: | Betulinic acid, Nuclear receptor ROR-gamma | 著者 | Zhang, X.L, Xu, C, Bai, F. | 登録日 | 2022-09-20 | 公開日 | 2023-06-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists. Eur.J.Med.Chem., 257, 2023
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5H25
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![BU of 5h25 by Molmil](/molmil-images/mine/5h25) | EED in complex with PRC2 allosteric inhibitor compound 11 | 分子名称: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-14 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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5H24
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![BU of 5h24 by Molmil](/molmil-images/mine/5h24) | EED in complex with PRC2 allosteric inhibitor compound 8 | 分子名称: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-14 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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3GMJ
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![BU of 3gmj by Molmil](/molmil-images/mine/3gmj) | Crystal structure of MAD MH2 domain | 分子名称: | Protein mothers against dpp | 著者 | Wu, J.W, Wang, C. | 登録日 | 2009-03-14 | 公開日 | 2009-12-15 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of the MH2 domain of Drosophila Mad SCI.CHINA, SER.C: LIFE SCI., 52, 2009
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3DDW
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![BU of 3ddw by Molmil](/molmil-images/mine/3ddw) | Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK055 | 分子名称: | (2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Nolte, R.T. | 登録日 | 2008-06-06 | 公開日 | 2009-01-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy. Bioorg.Med.Chem.Lett., 19, 2009
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3DDS
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3DD1
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![BU of 3dd1 by Molmil](/molmil-images/mine/3dd1) | Crystal structure of glycogen phophorylase complexed with an anthranilimide based inhibitor GSK254 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine, ... | 著者 | Nolte, R.T. | 登録日 | 2008-06-04 | 公開日 | 2009-04-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy. Bioorg.Med.Chem.Lett., 19, 2009
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6IH5
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![BU of 6ih5 by Molmil](/molmil-images/mine/6ih5) | Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide | 分子名称: | Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 著者 | Song, X, Feng, Y, Liu, Y, Zhao, Z. | 登録日 | 2018-09-28 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.468 Å) | 主引用文献 | Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor Acs Catalysis, 9, 2019
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