7DV6
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![BU of 7dv6 by Molmil](/molmil-images/mine/7dv6) | Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor (TGF-beta RII) Inhibitors as Anti-Fibrosis Agents | 分子名称: | 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine, TGF-beta receptor type-2 | 著者 | Nishihata, J, Nomura, A, Miwa, S, Doi, S, Adachi, T. | 登録日 | 2021-01-12 | 公開日 | 2021-06-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Discovery of Selective Transforming Growth Factor beta Type II Receptor Inhibitors as Antifibrosis Agents. Acs Med.Chem.Lett., 12, 2021
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5GVP
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![BU of 5gvp by Molmil](/molmil-images/mine/5gvp) | Plasmodium vivax SHMT bound with PLP-glycine and GS654 | 分子名称: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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3VS2
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![BU of 3vs2 by Molmil](/molmil-images/mine/3vs2) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | 分子名称: | 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kuratani, M, Tomabechi, Y, Niwa, H, Parker, J.L, Handa, N, Yokoyama, S. | 登録日 | 2012-04-21 | 公開日 | 2013-05-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.609 Å) | 主引用文献 | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VRY
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![BU of 3vry by Molmil](/molmil-images/mine/3vry) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane | 分子名称: | 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kuratani, M, Tomabechi, Y, Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2012-04-21 | 公開日 | 2013-05-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.481 Å) | 主引用文献 | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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3VRZ
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![BU of 3vrz by Molmil](/molmil-images/mine/3vrz) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea | 分子名称: | 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S. | 登録日 | 2012-04-21 | 公開日 | 2013-05-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.218 Å) | 主引用文献 | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo Sci Transl Med, 5, 2013
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5KX5
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![BU of 5kx5 by Molmil](/molmil-images/mine/5kx5) | Crystal structure of tubulin-stathmin-TTL-Compound 11 complex | 分子名称: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | 著者 | Parris, K. | 登録日 | 2016-07-20 | 公開日 | 2016-12-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design, Synthesis, and Cytotoxic Evaluation of Novel Tubulysin Analogues as ADC Payloads. ACS Med Chem Lett, 7, 2016
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7WUE
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![BU of 7wue by Molmil](/molmil-images/mine/7wue) | Crystal structure of SARS-CoV-2 Receptor Binding Domain in complex with the monoclonal antibody m31A7 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Mohapatra, A. | 登録日 | 2022-02-08 | 公開日 | 2022-03-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Vaccination with SARS-CoV-2 spike protein lacking glycan shields elicits enhanced protective responses in animal models. Sci Transl Med, 14, 2022
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7OF2
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![BU of 7of2 by Molmil](/molmil-images/mine/7of2) | Structure of a human mitochondrial ribosome large subunit assembly intermediate in complex with GTPBP6. | 分子名称: | 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ... | 著者 | Hillen, H.S, Lavdovskaia, E, Nadler, F, Hanitsch, E, Linden, A, Bohnsack, K.E, Urlaub, H, Richter-Dennerlein, R. | 登録日 | 2021-05-04 | 公開日 | 2021-06-02 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Structural basis of GTPase-mediated mitochondrial ribosome biogenesis and recycling. Nat Commun, 12, 2021
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5UEM
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![BU of 5uem by Molmil](/molmil-images/mine/5uem) | Crystal structure of 354NC37 Fab in complex with HIV-1 clade AE strain 93TH057 gp120 | 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, 354NC37 Fab Heavy Chain, ... | 著者 | Sievers, S.A, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2017-01-02 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller. Sci Transl Med, 9, 2017
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5HEZ
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![BU of 5hez by Molmil](/molmil-images/mine/5hez) | |
5UEL
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![BU of 5uel by Molmil](/molmil-images/mine/5uel) | Crystal structure of 354NC102 Fab | 分子名称: | 354NC102 Fab Heavy Chain, 354NC102 Fab Light Chain, SULFATE ION | 著者 | Sievers, S.A, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2017-01-02 | 公開日 | 2017-02-01 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller. Sci Transl Med, 9, 2017
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1H8I
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![BU of 1h8i by Molmil](/molmil-images/mine/1h8i) | X-ray crystal structure of human alpha-thrombin with a tripeptide phosphonate inhibitor. | 分子名称: | HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide, THROMBIN | 著者 | Skordalakes, E, Dodson, G.G, Green, D, Deadman, J. | 登録日 | 2001-02-08 | 公開日 | 2001-03-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate J.Mol.Biol., 311, 2001
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1H8D
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![BU of 1h8d by Molmil](/molmil-images/mine/1h8d) | X-ray structure of the human alpha-thrombin complex with a tripeptide phosphonate inhibitor. | 分子名称: | HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide, THROMBIN | 著者 | Skordalakes, E, Dodson, G.G, Green, D, Deadman, J. | 登録日 | 2001-02-01 | 公開日 | 2001-02-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate J.Mol.Biol., 311, 2001
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4UF7
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![BU of 4uf7 by Molmil](/molmil-images/mine/4uf7) | Ghanaian henipavirus (Gh-M74a) attachment glycoprotein in complex with human ephrinB2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | 著者 | Lee, B, Pernet, O, Ahmed, A.A, Zeltina, A, Beaty, S.M, Bowden, T.A. | 登録日 | 2015-03-13 | 公開日 | 2015-04-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Molecular Recognition of Human Ephrinb2 Cell Surface Receptor by an Emergent African Henipavirus. Proc.Natl.Acad.Sci.USA, 112, 2015
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7DOC
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![BU of 7doc by Molmil](/molmil-images/mine/7doc) | Crystal structure of Zika NS2B-NS3 protease with compound 5 | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ... | 著者 | Quek, J.P. | 登録日 | 2020-12-14 | 公開日 | 2021-04-14 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | 主引用文献 | 2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease. Acs Med.Chem.Lett., 12, 2021
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8T5C
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![BU of 8t5c by Molmil](/molmil-images/mine/8t5c) | Lassa GPC Trimer in complex with Fab 8.11G and nanobody D5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8.11G Heavy Chain, 8.11G Light Chain, ... | 著者 | Gorman, J, Kwong, P.D. | 登録日 | 2023-06-13 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | 主引用文献 | Cleavage-intermediate Lassa virus trimer elicits neutralizing responses, identifies neutralizing nanobodies, and reveals an apex-situated site-of-vulnerability. Nat Commun, 15, 2024
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1FCP
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![BU of 1fcp by Molmil](/molmil-images/mine/1fcp) | FERRIC HYDROXAMATE UPTAKE RECEPTOR (FHUA) FROM E.COLI IN COMPLEX WITH BOUND FERRICHROME-IRON | 分子名称: | 2-TRIDECANOYLOXY-PENTADECANOIC ACID, 3-OXO-PENTADECANOIC ACID, ACETOACETIC ACID, ... | 著者 | Hofmann, E, Ferguson, A.D, Diederichs, K, Welte, W. | 登録日 | 1998-10-14 | 公開日 | 1999-01-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Siderophore-mediated iron transport: crystal structure of FhuA with bound lipopolysaccharide. Science, 282, 1998
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7SAP
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![BU of 7sap by Molmil](/molmil-images/mine/7sap) | The CTI-homolog pacifastin | 分子名称: | GLYCEROL, Serine protease inhibitor I/II-like Protein | 著者 | Gewe, M.M, Strong, R.K. | 登録日 | 2021-09-23 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager. Sci Transl Med, 14, 2022
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7SAO
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![BU of 7sao by Molmil](/molmil-images/mine/7sao) | The CTI-homolog pacifastin | 分子名称: | COBALT (II) ION, Pacifastin | 著者 | Gewe, M.M, Strong, R.K. | 登録日 | 2021-09-23 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager. Sci Transl Med, 14, 2022
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7SND
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![BU of 7snd by Molmil](/molmil-images/mine/7snd) | Pacifastin related protease inhibitors | 分子名称: | GLYCEROL, PHOSPHATE ION, Pacifastin-related peptide | 著者 | Gewe, M.M, Strong, R.K. | 登録日 | 2021-10-27 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager. Sci Transl Med, 14, 2022
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7SNC
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![BU of 7snc by Molmil](/molmil-images/mine/7snc) | |
6OUW
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![BU of 6ouw by Molmil](/molmil-images/mine/6ouw) | |
1GDR
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![BU of 1gdr by Molmil](/molmil-images/mine/1gdr) | |
3T3P
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![BU of 3t3p by Molmil](/molmil-images/mine/3t3p) | A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS | 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, CALCIUM ION, ... | 著者 | Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2011-07-25 | 公開日 | 2012-03-28 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS Sci Transl Med, 4, 2012
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3T3M
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![BU of 3t3m by Molmil](/molmil-images/mine/3t3m) | A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS | 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, CALCIUM ION, ... | 著者 | Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2011-07-25 | 公開日 | 2012-03-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS Sci Transl Med, 4, 2012
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