7CP4
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![BU of 7cp4 by Molmil](/molmil-images/mine/7cp4) | Crystal Structure of PAK4 in complex with inhibitor 55 | 分子名称: | Serine/threonine-protein kinase PAK 4, [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone | 著者 | Zhao, F, Li, H. | 登録日 | 2020-08-06 | 公開日 | 2021-08-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors to be published
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7CQO
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6KZI
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![BU of 6kzi by Molmil](/molmil-images/mine/6kzi) | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | 分子名称: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1 | 著者 | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | 登録日 | 2019-09-24 | 公開日 | 2020-03-04 | 最終更新日 | 2021-03-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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4NXA
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![BU of 4nxa by Molmil](/molmil-images/mine/4nxa) | SPERM WHALE MYOGLOBIN UNDER XENON PRESSURE 30 Bar | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Colloc'h, N, Prange, T, Vallone, B. | 登録日 | 2013-12-09 | 公開日 | 2014-09-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence for Protein-dependent Processes in the Mechanisms of General Anesthesia Anesthesiology, 121, 2014
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6KZR
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![BU of 6kzr by Molmil](/molmil-images/mine/6kzr) | Crystal structure of mouse DCAR2 CRD domain | 分子名称: | C-type lectin domain family 4, member b1, CALCIUM ION, ... | 著者 | Omahdi, Z, Horikawa, Y, Toyonaga, K, Teramoto, T, Kakuta, Y, Yamasaki, S. | 登録日 | 2019-09-25 | 公開日 | 2020-03-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.304 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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8G1W
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![BU of 8g1w by Molmil](/molmil-images/mine/8g1w) | Crystal Structure Matriptase (C731S) in Complex with Inhibitor VD4162B | 分子名称: | CHLORIDE ION, Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM), Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ), ... | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | 登録日 | 2023-02-03 | 公開日 | 2024-02-07 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Mechanism-Based Macrocyclic Inhibitors of Serine Proteases. J.Med.Chem., 67, 2024
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6E21
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![BU of 6e21 by Molmil](/molmil-images/mine/6e21) | Joint X-ray/neutron structure of PKAc with products Sr2-ADP and phosphorylated peptide SP20 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Kovalevsky, A, Gerlits, O.O, Taylor, S. | 登録日 | 2018-07-10 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-25 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex. Sci Adv, 5, 2019
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6L15
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![BU of 6l15 by Molmil](/molmil-images/mine/6l15) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | 分子名称: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1 | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | 登録日 | 2019-09-27 | 公開日 | 2020-05-27 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6E2M
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![BU of 6e2m by Molmil](/molmil-images/mine/6e2m) | ASK1 kinase domain complex with inhibitor | 分子名称: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.253 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2N
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![BU of 6e2n by Molmil](/molmil-images/mine/6e2n) | ASK1 kinase domain complex with inhibitor | 分子名称: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2J
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![BU of 6e2j by Molmil](/molmil-images/mine/6e2j) | Crystal structure of the heterocomplex between human keratin 1 coil 1B containing S233L mutation and wild-type human keratin 10 coil 1B | 分子名称: | Keratin, type I cytoskeletal 10, type II cytoskeletal 1, ... | 著者 | Eldirany, S.A, Lomakin, I.B, Bunick, C.G. | 登録日 | 2018-07-11 | 公開日 | 2019-05-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.386 Å) | 主引用文献 | Human keratin 1/10-1B tetramer structures reveal a knob-pocket mechanism in intermediate filament assembly. Embo J., 38, 2019
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6E6M
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![BU of 6e6m by Molmil](/molmil-images/mine/6e6m) | Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO) | 分子名称: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, Retinol-binding protein 1 | 著者 | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | 登録日 | 2018-07-25 | 公開日 | 2019-02-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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7LTD
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![BU of 7ltd by Molmil](/molmil-images/mine/7ltd) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 1 | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-19 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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6E2O
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![BU of 6e2o by Molmil](/molmil-images/mine/6e2o) | ASK1 kinase domain complex with inhibitor | 分子名称: | 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | 著者 | Lansdon, E.B. | 登録日 | 2018-07-11 | 公開日 | 2018-09-19 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.389 Å) | 主引用文献 | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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7LTI
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![BU of 7lti by Molmil](/molmil-images/mine/7lti) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 2 | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-19 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.91 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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7LTV
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![BU of 7ltv by Molmil](/molmil-images/mine/7ltv) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 3 | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-20 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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5ZZF
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![BU of 5zzf by Molmil](/molmil-images/mine/5zzf) | X-ray structure of F43Y/H64D sperm whale myoglobin | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Yuan, H, Lin, Y.W. | 登録日 | 2018-06-01 | 公開日 | 2018-10-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Rationally Designed Myoglobin Exhibits a Catalytic Dehalogenation Efficiency More than 1000-Fold That of a Native Dehaloperoxidase Acs Catalysis, 8, 2018
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7LU0
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![BU of 7lu0 by Molmil](/molmil-images/mine/7lu0) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 4 | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-20 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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4O0S
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7LU1
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![BU of 7lu1 by Molmil](/molmil-images/mine/7lu1) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 5 | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-20 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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4O0W
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7LU2
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![BU of 7lu2 by Molmil](/molmil-images/mine/7lu2) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 6 | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-20 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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7LU3
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![BU of 7lu3 by Molmil](/molmil-images/mine/7lu3) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 7 | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-20 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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7LYX
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![BU of 7lyx by Molmil](/molmil-images/mine/7lyx) | Crystal structure of human CYP8B1 in complex with (S)-tioconazole | 分子名称: | (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ... | 著者 | Liu, J, Scott, E.E. | 登録日 | 2021-03-08 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes. J.Biol.Chem., 298, 2022
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5W4W
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