8DYB
 
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8DW8
 | | Host-guest structure of BLMA2 partially bound to 5'-ATTAGTTATAACTAAT-3' | | 分子名称: | BLEOMYCIN A2, DNA (5'-D(*AP*TP*TP*AP*GP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*CP*TP*AP*AP*T)-3'), ... | | 著者 | Georgiadis, M.M. | | 登録日 | 2022-07-31 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Two distinct rotations of bithiazole DNA intercalation revealed by direct comparison of crystal structures of Co(III)•bleomycin A 2 and B 2 bound to duplex 5'-TAGTT sites.
Bioorg.Med.Chem., 77, 2023
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6M4Q
 | | Cytochrome P450 monooxygenase StvP2 substrate-free structure | | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y. | | 登録日 | 2020-03-08 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
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8DSR
 | | Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362 | | 分子名称: | (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X | | 著者 | Abendroth, J, Lorimer, D.D. | | 登録日 | 2022-07-22 | | 公開日 | 2022-10-19 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 .
J.Med.Chem., 65, 2022
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5X3Z
 | | Solution structure of musashi1 RBD2 in complex with RNA | | 分子名称: | RNA (5'-R(*GP*UP*AP*GP*U)-3'), RNA-binding protein Musashi homolog 1 | | 著者 | Iwaoka, R, Nagata, T, Tsuda, K, Imai, T, Okano, H, Kobayashi, N, Katahira, M. | | 登録日 | 2017-02-09 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural Insight into the Recognition of r(UAG) by Musashi-1 RBD2, and Construction of a Model of Musashi-1 RBD1-2 Bound to the Minimum Target RNA
Molecules, 22, 2017
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6M8F
 | | Engineered sperm whale myoglobin-based carbene transferase | | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | 著者 | Bacik, J.P, Ando, N, Fasan, R. | | 登録日 | 2018-08-21 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Origin of high stereocontrol in olefin cyclopropanation catalyzed by an engineered carbene transferase.
Acs Catalysis, 9, 2019
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6LS8
 | | The monomeric structure of G80A/H81A/H82A myoglobin | | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Nagao, S, Suda, A, Kobayashi, H, Shibata, N, Higuchi, Y, Hirota, S. | | 登録日 | 2020-01-17 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Thermodynamic Control of Domain Swapping by Modulating the Helical Propensity in the Hinge Region of Myoglobin.
Chem Asian J, 15, 2020
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6I5I
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h | | 分子名称: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine, Dual specificity protein kinase CLK1 | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-11-13 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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5XA3
 | | Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine | | 分子名称: | Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ... | | 著者 | Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y. | | 登録日 | 2017-03-10 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6LKR
 | | Crystal structure of mouse DCAR2 CRD domain complex | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, C-type lectin domain family 4, member b1, ... | | 著者 | Omahdi, Z, Horikawa, Y, Toyonaga, K, Kakuta, Y, Yamasaki, S. | | 登録日 | 2019-12-20 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structural insight into the recognition of pathogen-derived phosphoglycolipids by C-type lectin receptor DCAR.
J.Biol.Chem., 295, 2020
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6I6G
 | | Dehaloperoxidase B from Amphitrite ornata - complex with 5-bromoindole | | 分子名称: | 5-bromanyl-1~{H}-indole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | | 登録日 | 2018-11-15 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
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8E3D
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#11) | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*AP*AP*CP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*AP*T)-3'), ... | | 著者 | Horton, J.R, Ren, R, Cheng, X. | | 登録日 | 2022-08-17 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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6XAX
 | | Structure of a fragment of human fibronectin containing the 11th type III domain, extra domain A, and the 12th type III domain | | 分子名称: | Fibronectin, GLYCEROL | | 著者 | Mou, T.C, Nepomuceno, P.A, Sprang, S.R, Briknarova, K. | | 登録日 | 2020-06-04 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Fragment of human fibronectin containing the 11th type III domain, extra domain A, and 12th type III domain
To Be Published
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8DTN
 | | The complex of nanobody 6101 with BCL11A ZF6 | | 分子名称: | B-cell lymphoma/leukemia 11A, MAGNESIUM ION, Nanobody 6101, ... | | 著者 | Yin, M, Tenglin, K, Zhai, L, Dassama, L.M, Orkin, S.H. | | 登録日 | 2022-07-26 | | 公開日 | 2023-02-01 | | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | | 主引用文献 | Evolution of nanobodies specific for BCL11A.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6M9L
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | | 分子名称: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | | 著者 | Lane, W, Okada, K. | | 登録日 | 2018-08-23 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
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6XA2
 | | Structure of the tirandamycin C-bound P450 monooxygenase TamI | | 分子名称: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione, PROTOPORPHYRIN IX CONTAINING FE, TamI | | 著者 | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | | 登録日 | 2020-06-03 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway.
Acs Catalysis, 10, 2020
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6XAY
 | | Structure of a fragment of human fibronectin containing the 10th, 11th and 12th type III domains | | 分子名称: | Fibronectin, GLYCEROL | | 著者 | Mou, T.C, Nepomuceno, P.A, Sprang, S.R, Briknarova, K. | | 登録日 | 2020-06-05 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Fragment of human fibronectin containing the 10th, 11th and 12th type III domains
To Be Published
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8E3E
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#10) | | 分子名称: | DNA (5'-D(*CP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*A)-3'), ZINC ION, ... | | 著者 | Horton, J.R, Ren, R, Cheng, X. | | 登録日 | 2022-08-17 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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8DTU
 | | The complex of nanobody 5344N74D with BCL11A ZF6. | | 分子名称: | B-cell lymphoma/leukemia 11A, Nanobody 5344N74D, ZINC ION | | 著者 | Yin, M, Tenglin, K, Zhai, L, Dassama, L.M, Orkin, S.H. | | 登録日 | 2022-07-26 | | 公開日 | 2023-02-01 | | 実験手法 | X-RAY DIFFRACTION (2.447 Å) | | 主引用文献 | Evolution of nanobodies specific for BCL11A.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8IZH
 | | Crystal structure of trypsin-aminoguanidine complex at 2.30 Angstroms resolution | | 分子名称: | AMINOGUANIDINE, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Ahmad, M.S, Kalam, N, Akbar, Z, Rasheed, S, Choudhary, M.I. | | 登録日 | 2023-04-07 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for the binding of famotidine, cimetidine, guanidine, and pimagedine with serine protease.
Biochem.Biophys.Res.Commun., 733, 2024
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5XR4
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8IYV
 | | Crystal structure of trypsin-famotidine complex at 2.10 Angstroms resolution | | 分子名称: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | | 著者 | Ahmad, M.S, Kalam, N, Akbar, Z, Rasheed, S, Choudhary, M.I. | | 登録日 | 2023-04-06 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for the binding of famotidine, cimetidine, guanidine, and pimagedine with serine protease.
Biochem.Biophys.Res.Commun., 733, 2024
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6ION
 | | The complex of C4.4A with its antibody 11H10 Fab fragment | | 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, Ly6/PLAUR domain-containing protein 3, ... | | 著者 | Huang, M.D, Jiang, Y.B, Yuan, C, Lin, L. | | 登録日 | 2018-10-30 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystal Structures of Human C4.4A Reveal the Unique Association of Ly6/uPAR/alpha-neurotoxin Domain
Int J Biol Sci, 16, 2020
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8IZI
 | | Crystal structure of trypsin-cimetidine complex at 2.10 Angstroms resolution | | 分子名称: | 2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Ahmad, M.S, Kalam, N, Akbar, Z, Rasheed, S, Choudhary, M.I. | | 登録日 | 2023-04-07 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for the binding of famotidine, cimetidine, guanidine, and pimagedine with serine protease.
Biochem.Biophys.Res.Commun., 733, 2024
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6XCT
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