6M01
 
 | | The structure of HitB-HitD complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | 著者 | Miyanaga, A, Kurihara, S, Kudo, F, Eguchi, T. | | 登録日 | 2020-02-19 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Characterization of Complex of Adenylation Domain and Carrier Protein by Using Pantetheine Cross-Linking Probe.
Acs Chem.Biol., 15, 2020
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7B36
 | | MST4 in complex with compound G-5555 | | 分子名称: | 1,2-ETHANEDIOL, 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, ... | | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-11-28 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.10681081 Å) | | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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8Q7R
 | | Ubiquitin ligation to substrate by a cullin-RING E3 ligase & Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2~donor UB-Sil1 peptide | | 分子名称: | 5-azanyl-1-oxidanyl-pentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | | 著者 | Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A. | | 登録日 | 2023-08-16 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.71 Å) | | 主引用文献 | Cullin-RING ligases employ geometrically optimized catalytic partners for substrate targeting.
Mol.Cell, 84, 2024
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6P3M
 | | Tetrahydroprotoberberine N-methyltransferase in complex with S-adenosylhomocysteine | | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tetrahydroprotoberberine N-methyltransferase | | 著者 | Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S. | | 登録日 | 2019-05-24 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-function studies of tetrahydroprotoberberineN-methyltransferase reveal the molecular basis of stereoselective substrate recognition.
J.Biol.Chem., 294, 2019
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6V95
 | | Peanut lectin complexed with divalent N-beta-D-galactopyranosyl-L-tartaramidoyl derivative (diNGT) | | 分子名称: | (2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name), CALCIUM ION, Galactose-binding lectin, ... | | 著者 | Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | | 登録日 | 2019-12-13 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
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4XVH
 | | Crystal structure of a Corynascus thermopiles (Myceliophthora fergusii) carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD) | | 分子名称: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Carbohydrate esterase family 2 (CE2), GLYCEROL | | 著者 | Stogios, P.J, Dong, A, Xu, X, Cui, H, Savchenko, A. | | 登録日 | 2015-01-27 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9449 Å) | | 主引用文献 | Crystal structure of a Corynascus thermopiles carbohydrate esterase family 2 (CE2) enzyme plus carbohydrate binding domain (CBD)
To Be Published
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8TB2
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6M8W
 | | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIAF | | 分子名称: | AIAF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | | 登録日 | 2018-08-22 | | 公開日 | 2018-10-24 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
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7YYF
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5MQJ
 | | Crystal structure of dCK mutant C3S | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ... | | 著者 | Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | | 登録日 | 2016-12-20 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
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8EWW
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6EUZ
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | | 分子名称: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2017-10-31 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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8PFV
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DAniF)(O2CCH3)3] in condition A | | 分子名称: | 9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, CHLORIDE ION, Lysozyme C, ... | | 著者 | Teran, A, Ferraro, G, Merlino, A. | | 登録日 | 2023-06-16 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023
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6YQK
 | | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative (soaked) | | 分子名称: | 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | 登録日 | 2020-04-17 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
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6RSM
 | | Solution NMR structure of the peptide 12530 from medicinal leech Hirudo medicinalis in dodecylphosphocholine micelles | | 分子名称: | peptide 12530 | | 著者 | Talyzina, I.A, Nadezhdin, K.D, Grafskaia, E.N, Arseniev, A.S, Lazarev, V.N. | | 登録日 | 2019-05-21 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Medicinal leech antimicrobial peptides lacking toxicity represent a promising alternative strategy to combat antibiotic-resistant pathogens.
Eur.J.Med.Chem., 180, 2019
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6RSG
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6VDT
 | | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-nitrophenol | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase B, ... | | 著者 | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | | 登録日 | 2019-12-27 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.978 Å) | | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
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8PFU
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with K3[Ru2(CO3)4] in condition A | | 分子名称: | 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one, CARBONATE ION, Lysozyme C, ... | | 著者 | Teran, A, Ferraro, G, Merlino, A. | | 登録日 | 2023-06-16 | | 公開日 | 2023-07-19 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023
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4XXO
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7TDH
 | | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in open conformation | | 分子名称: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | | 著者 | Nayak, A.R, Samso, M. | | 登録日 | 2021-12-31 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM.
Elife, 11, 2022
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7TAD
 | | CryoEM structure of the (NPR1)2-(TGA3)2 complex | | 分子名称: | PALMITIC ACID, Regulatory protein NPR1, Transcription factor TGA3, ... | | 著者 | Wu, Q, Zhou, Y, Bartesaghi, A, Dong, X, Zhou, P. | | 登録日 | 2021-12-20 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
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7YYJ
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8PFT
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(D-p-FPhF)(CO3)3] in condition A | | 分子名称: | 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one, CHLORIDE ION, Lysozyme C, ... | | 著者 | Teran, A, Ferraro, G, Merlino, A. | | 登録日 | 2023-06-16 | | 公開日 | 2023-07-19 | | 実験手法 | X-RAY DIFFRACTION (1.304 Å) | | 主引用文献 | Charge effect in protein metalation reactions by diruthenium complexes
Inorg Chem Front, 2023
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7YZ8
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6EXM
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | | 著者 | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2017-11-08 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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