2BAG
 
 | | 3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine | | 分子名称: | 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Lamba, D, Bartolucci, C, Siotto, M, Racchi, M, Villetti, G, Delcanale, M. | | 登録日 | 2005-10-14 | | 公開日 | 2006-08-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Determinants of Torpedo californica Acetylcholinesterase Inhibition by the Novel and Orally Active Carbamate Based Anti-Alzheimer Drug Ganstigmine (CHF-2819)
J.Med.Chem., 49, 2006
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1KZN
 | | Crystal Structure of E. coli 24kDa Domain in Complex with Clorobiocin | | 分子名称: | CLOROBIOCIN, DNA GYRASE SUBUNIT B | | 著者 | Lafitte, D, Lamour, V, Tsvetkov, P.O, Makarov, A.A, Klich, M, Deprez, P, Moras, D, Briand, C, Gilli, R. | | 登録日 | 2002-02-07 | | 公開日 | 2002-06-19 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose.
Biochemistry, 41, 2002
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7BII
 | | Crystal structure of Nematocida HUWE1 | | 分子名称: | E3 ubiquitin-protein ligase HUWE1 | | 著者 | Grabarczyk, D.B, Petrova, O.A, Meinhart, A, Kessler, D, Clausen, T. | | 登録日 | 2021-01-12 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.037 Å) | | 主引用文献 | HUWE1 employs a giant substrate-binding ring to feed and regulate its HECT E3 domain.
Nat.Chem.Biol., 17, 2021
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1KKD
 | | Solution structure of the calmodulin binding domain (CaMBD) of small conductance Ca2+-activated potassium channels (SK2) | | 分子名称: | Small conductance calcium-activated potassium channel protein 2 | | 著者 | Wissmann, R, Bildl, W, Neumann, H, Rivard, A.F, Kloecker, N, Weitz, D, Schulte, U, Adelman, J.P, Bentrop, D, Fakler, B. | | 登録日 | 2001-12-07 | | 公開日 | 2001-12-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A helical region in the C terminus of small-conductance Ca2+-activated K+ channels controls assembly with apo-calmodulin.
J.Biol.Chem., 277, 2002
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6C97
 | | Crystal structure of FcRn at pH3 | | 分子名称: | Beta-2-microglobulin, GLYCEROL, IgG receptor FcRn large subunit p51 | | 著者 | Fox III, D, Fairman, J.W. | | 登録日 | 2018-01-25 | | 公開日 | 2018-05-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
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8CDQ
 | | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S | | 分子名称: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ... | | 著者 | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | | 登録日 | 2023-01-31 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
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8CI5
 | | Structure of the SNV L protein bound to 5' RNA | | 分子名称: | RNA (5'-R(P*AP*GP*UP*AP*GP*UP*AP*GP*AP*CP*U)-3'), RNA-directed RNA polymerase L | | 著者 | Meier, K, Thorkelsson, S.R, Durieux Trouilleton, Q, Vogel, D, Yu, D, Kosinski, J, Cusack, S, Malet, H, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | | 登録日 | 2023-02-08 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-08-23 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural and functional characterization of the Sin Nombre virus L protein.
Plos Pathog., 19, 2023
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4TNJ
 | | RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 4.5 A resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | | 登録日 | 2014-06-04 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | | 主引用文献 | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
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8B6U
 | | Mpf2Ba1 monomer | | 分子名称: | MAGNESIUM ION, Mpf2Ba1 | | 著者 | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez-Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | 登録日 | 2022-09-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.134 Å) | | 主引用文献 | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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8B6W
 | | Mpf2Ba1 pore | | 分子名称: | MAGNESIUM ION, Mpf2Ba1 | | 著者 | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | 登録日 | 2022-09-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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8B6V
 | | Mp2Ba1 pre-pore | | 分子名称: | MAGNESIUM ION, Mpf2Ba1 | | 著者 | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | 登録日 | 2022-09-27 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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8BQF
 | | Adenylate Kinase L107I MUTANT | | 分子名称: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | | 著者 | Scheerer, D, Adkar, B.V, Bhattacharyya, S, Levy, D, Iljina, M, Iljina, I, Dym, O, Haran, G, Shakhnovich, E.I. | | 登録日 | 2022-11-21 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Allosteric communication between ligand binding domains modulates substrate inhibition in adenylate kinase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6G52
 | | CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4 | | 分子名称: | Metal transporter CNNM4 | | 著者 | Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A. | | 登録日 | 2018-03-28 | | 公開日 | 2019-04-10 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (3.691 Å) | | 主引用文献 | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
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1LS4
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4TNI
 | | RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | | 登録日 | 2014-06-04 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (4.6 Å) | | 主引用文献 | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
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7OF9
 | | Keap1 kelch domain bound to a small molecule fragment | | 分子名称: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, [(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2021-05-04 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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4OVE
 | | X-ray Crystal Structure of Mouse Netrin-1 | | 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 | Meier, M, Nikodemus, D, Reuten, R, Patel, T.R, Orriss, G, Okun, N, Koch, M, Stetefeld, J. | | 登録日 | 2014-02-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Structural Decoding of the Netrin-1/UNC5 Interaction and its Therapeutical Implications in Cancers.
Cancer Cell, 29, 2016
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7OFD
 | | Keap1 kelch domain bound to a small molecule fragment | | 分子名称: | 6-fluoranyl-2-methyl-quinolin-4-ol, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2021-05-04 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFA
 | | Keap1 kelch domain bound to a small molecule fragment | | 分子名称: | 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2021-05-04 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFF
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | 分子名称: | (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2021-05-04 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFE
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | 分子名称: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2021-05-04 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFB
 | | Keap1 kelch domain bound to a small molecule fragment | | 分子名称: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2021-05-04 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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1J6Y
 | | Solution structure of Pin1At from Arabidopsis thaliana | | 分子名称: | peptidyl-prolyl cis-trans isomerase | | 著者 | Landrieu, I, Wieruszeski, J.M, Wintjens, R, Inze, D, Lippens, G. | | 登録日 | 2001-05-15 | | 公開日 | 2002-08-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of the
Single-domain Prolyl Cis/Trans
Isomerase PIN1At from Arabidopsis thaliana
J.Mol.Biol., 320, 2002
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7OFC
 | | Keap1 kelch domain bound to a small molecule fragment | | 分子名称: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | 著者 | Narayanan, D, Bach, A, Gajhede, M. | | 登録日 | 2021-05-04 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OF8
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