4YDF
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![BU of 4ydf by Molmil](/molmil-images/mine/4ydf) | Crystal structure of compound 9 in complex with HTLV-1 Protease | 分子名称: | HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION | 著者 | Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E. | 登録日 | 2015-02-22 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | 主引用文献 | Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. J.Med.Chem., 58, 2015
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4YLC
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2MOQ
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![BU of 2moq by Molmil](/molmil-images/mine/2moq) | Solution Structure and Molecular determinants of Hemoglobin Binding of the first NEAT Domain of IsdB in Staphylococcus aureus | 分子名称: | Iron-regulated surface determinant protein B | 著者 | Fonner, B.A, Tripet, B.P, Eilers, B.J, Stanisich, J, Sullivan-Springhetti, R.K, Moore, R, Lui, M, Lei, B, Copie, V. | 登録日 | 2014-04-29 | 公開日 | 2014-07-02 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure and Molecular Determinants of Hemoglobin Binding of the First NEAT Domain of IsdB in Staphylococcus aureus. Biochemistry, 53, 2014
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5UIF
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![BU of 5uif by Molmil](/molmil-images/mine/5uif) | Crystal Structure of Native Ps01740 | 分子名称: | Ps01740 | 著者 | LeVieux, J, Baas, B.J, Zhang, Y.J, Whitman, C.P. | 登録日 | 2017-01-13 | 公開日 | 2017-11-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Kinetic and structural characterization of a cis-3-Chloroacrylic acid dehalogenase homologue in Pseudomonas sp. UW4: A potential step between subgroups in the tautomerase superfamily. Arch. Biochem. Biophys., 636, 2017
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4YMK
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![BU of 4ymk by Molmil](/molmil-images/mine/4ymk) | Crystal Structure of Stearoyl-Coenzyme A Desaturase 1 | 分子名称: | Acyl-CoA desaturase 1, STEAROYL-COENZYME A, ZINC ION, ... | 著者 | Bai, Y, McCoy, J.G, Rajashankar, K.R, Zhou, M. | 登録日 | 2015-03-06 | 公開日 | 2015-06-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.605 Å) | 主引用文献 | X-ray structure of a mammalian stearoyl-CoA desaturase. Nature, 524, 2015
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2MQP
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2MU7
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![BU of 2mu7 by Molmil](/molmil-images/mine/2mu7) | Shortening and modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria | 分子名称: | 1513 MSP-1 peptide | 著者 | Espejo, F, Bermudez, A, Torres, E, Urquiza, M, Rodriguez, R, Lopez, Y, Patarroyo, M. | 登録日 | 2014-09-04 | 公開日 | 2014-11-12 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Shortening and modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria. Biochem.Biophys.Res.Commun., 315, 2004
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5UKW
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5UJ9
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4YO1
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5ULX
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2MWG
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4YIH
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![BU of 4yih by Molmil](/molmil-images/mine/4yih) | Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU | 分子名称: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, cytosolic type, ... | 著者 | Pachl, P, Rezacova, P, Brynda, J. | 登録日 | 2015-03-02 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor Medchemcomm, 6, 2015
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6BFZ
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![BU of 6bfz by Molmil](/molmil-images/mine/6bfz) | Crystal structure of enolase from E. coli with a mixture of apo form, substrate, and product form | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PHOSPHOGLYCERIC ACID, Enolase, ... | 著者 | Erlandsen, H, Wright, D, Krucinska, J. | 登録日 | 2017-10-27 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens. Biochemistry, 58, 2019
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4YIR
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![BU of 4yir by Molmil](/molmil-images/mine/4yir) | Crystal structure of Rad4-Rad23 crosslinked to an undamaged DNA | 分子名称: | DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*G*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ... | 著者 | Min, J.-H, Chen, X, Kim, Y. | 登録日 | 2015-03-02 | 公開日 | 2015-03-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.0501 Å) | 主引用文献 | Kinetic gating mechanism of DNA damage recognition by Rad4/XPC. Nat Commun, 6, 2015
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5UKP
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5UKN
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4YQE
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![BU of 4yqe by Molmil](/molmil-images/mine/4yqe) | Crystal structure of E. coli WrbA in complex with benzoquinone | 分子名称: | 1,4-benzoquinone, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | 著者 | Degtjarik, O, Brynda, J, Ettrichova, O, Carey, J, Kuta Smatanova, I, Ettrich, R. | 登録日 | 2015-03-13 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA. J.Phys.Chem.B, 120, 2016
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5V18
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![BU of 5v18 by Molmil](/molmil-images/mine/5v18) | Structure of PHD2 in complex with 1,2,4-Triazolo-[1,5-a]pyridine | 分子名称: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 1, FE (II) ION, ... | 著者 | Skene, R.J. | 登録日 | 2017-03-01 | 公開日 | 2017-06-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J. Med. Chem., 60, 2017
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5UOB
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![BU of 5uob by Molmil](/molmil-images/mine/5uob) | Structure of human endothelial nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, CHLORIDE ION, ... | 著者 | Chreifi, G, Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.292 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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2NBZ
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6B7A
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![BU of 6b7a by Molmil](/molmil-images/mine/6b7a) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-methyl-1H-benzo[d]imidazol-4-ol | 分子名称: | 2-methyl-1H-benzimidazol-7-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Proudfoot, A.W, Bussiere, D, Lingel, A. | 登録日 | 2017-10-03 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.991 Å) | 主引用文献 | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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4Y3S
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4Y47
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![BU of 4y47 by Molmil](/molmil-images/mine/4y47) | Endothiapepsin in complex with fragment 162 | 分子名称: | 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ACETATE ION, Endothiapepsin, ... | 著者 | Krimmer, S.G, Krug, M, Uehlein, M, Heine, A, Klebe, G. | 登録日 | 2015-02-10 | 公開日 | 2016-02-17 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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2N7A
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![BU of 2n7a by Molmil](/molmil-images/mine/2n7a) | Solution structure of the human Siglec-8 lectin domain | 分子名称: | Sialic acid-binding Ig-like lectin 8 | 著者 | Proepster, J.M, Yang, F, Rabbani, S, Ernst, B, Allain, F.H.-T, Schubert, M. | 登録日 | 2015-09-07 | 公開日 | 2016-07-06 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8. Proc.Natl.Acad.Sci.USA, 113, 2016
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