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7R1Q
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BU of 7r1q by Molmil
X-ray structure of the adduct formed upon reaction of the gold(I) N-heterocyclic carbene complex Au2 with lysozyme
分子名称: DIMETHYL SULFOXIDE, GOLD ION, Lysozyme
著者Merlino, A, Ferraro, G.
登録日2022-02-03
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Halo complexes of gold(I) containing glycoconjugate carbene ligands: synthesis, characterization, cytotoxicity and interaction with proteins and DNA model systems.
Dalton Trans, 51, 2022
6I2Z
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BU of 6i2z by Molmil
Isolated globin domain of the Bordetella pertussis globin-coupled sensor
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Uncharacterized protein
著者Germani, F, De Schutter, A, Cuypers, B, Berghmans, H, Van Hauwaert, M.-L, Bruno, S, Mozzarelli, A, Moens, L, Van Doorslaer, S, Bolognesi, M, Pesce, A, Dewilde, S.
登録日2018-11-02
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and Functional Characterization of the Globin-Coupled Sensors ofAzotobacter vinelandiiandBordetella pertussis.
Antioxid.Redox Signal., 32, 2020
7R1P
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BU of 7r1p by Molmil
X-ray structure of the adduct formed upon reaction of the gold(I) N-heterocyclic carbene complex Au1 with RNase A
分子名称: GOLD ION, Ribonuclease pancreatic, SULFATE ION
著者Merlino, A, Ferraro, G.
登録日2022-02-03
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Halo complexes of gold(I) containing glycoconjugate carbene ligands: synthesis, characterization, cytotoxicity and interaction with proteins and DNA model systems.
Dalton Trans, 51, 2022
6I1D
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BU of 6i1d by Molmil
Structure of the Ysh1-Mpe1 nuclease complex from S.cerevisiae
分子名称: Endoribonuclease YSH1, GLYCEROL, Protein MPE1, ...
著者Hill, C.H, Boreikaite, V, Kumar, A, Casanal, A, Kubik, P, Degliesposti, G, Maslen, S, Mariani, A, von Loeffelholz, O, Girbig, M, Skehel, M, Passmore, L.A.
登録日2018-10-28
公開日2019-02-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Activation of the Endonuclease that Defines mRNA 3' Ends Requires Incorporation into an 8-Subunit Core Cleavage and Polyadenylation Factor Complex.
Mol.Cell, 73, 2019
11BG
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BU of 11bg by Molmil
A POTENTIAL ALLOSTERIC SUBSITE GENERATED BY DOMAIN SWAPPING IN BOVINE SEMINAL RIBONUCLEASE
分子名称: PROTEIN (BOVINE SEMINAL RIBONUCLEASE), SULFATE ION, URIDYLYL-2'-5'-PHOSPHO-GUANOSINE
著者Vitagliano, L, Adinolfi, S, Sica, F, Merlino, A, Zagari, A, Mazzarella, L.
登録日1999-03-11
公開日1999-11-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease.
J.Mol.Biol., 293, 1999
5XRA
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BU of 5xra by Molmil
Crystal structure of the human CB1 in complex with agonist AM11542
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ...
著者Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
登録日2017-06-08
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of agonist-bound human cannabinoid receptor CB1
Nature, 547, 2017
5X6Y
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Crystal structure of Rice Dwarf Virus P5 in complex with S-adenosylmethionine
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, S-ADENOSYLMETHIONINE, ...
著者Nakamichi, Y, Higashiura, A, Nakagawa, A.
登録日2017-02-23
公開日2018-02-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the capping enzyme P5 from Rice Dwarf Virus
To Be Published
5X89
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BU of 5x89 by Molmil
The X-ray crystal structure of subunit fusion RNA splicing endonuclease from Methanopyrus kandleri
分子名称: EndA-like protein,tRNA-splicing endonuclease, PHOSPHATE ION
著者Kaneta, A, Fujishima, K, Morikazu, W, Hori, H, Hirata, A.
登録日2017-03-01
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The RNA-splicing endonuclease from the euryarchaeaon Methanopyrus kandleri is a heterotetramer with constrained substrate specificity
Nucleic Acids Res., 46, 2018
3HMI
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BU of 3hmi by Molmil
The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
分子名称: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Tyrosine-protein kinase ABL2
著者Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-05-29
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
To be Published
8BR6
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BU of 8br6 by Molmil
Discovery of IRAK4 Inhibitor 40
分子名称: ACETATE ION, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wengner, A.M, Guimond, N, Thaler, T, Platzek, J, Ewerspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-11-22
公開日2024-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.167 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8BR5
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BU of 8br5 by Molmil
Discovery of IRAK4 Inhibitor 41
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-11-22
公開日2024-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
8BR7
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BU of 8br7 by Molmil
Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839
分子名称: 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide, Interleukin-1 receptor-associated kinase 4
著者Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
登録日2022-11-22
公開日2024-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.119 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
5X4Y
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BU of 5x4y by Molmil
Mutant human thymidylate synthase M190K crystallized in a sulfate-containing condition
分子名称: SULFATE ION, Thymidylate synthase
著者Chen, D, Jansson, A, Larsson, A, Nordlund, P.
登録日2017-02-14
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X5Q
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BU of 5x5q by Molmil
Human thymidylate synthase complexed with dUMP and raltitrexed
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
著者Chen, D, Jansson, A, Larsson, A, Nordlund, P.
登録日2017-02-17
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
3HOD
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BU of 3hod by Molmil
Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid
分子名称: (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E.
登録日2009-06-02
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
7RSA
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BU of 7rsa by Molmil
STRUCTURE OF PHOSPHATE-FREE RIBONUCLEASE A REFINED AT 1.26 ANGSTROMS
分子名称: RIBONUCLEASE A, TERTIARY-BUTYL ALCOHOL
著者Wlodawer, A, Gilliland, G.L.
登録日1988-06-10
公開日1988-10-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure of phosphate-free ribonuclease A refined at 1.26 A.
Biochemistry, 27, 1988
7P3R
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BU of 7p3r by Molmil
Helical structure of the toxin MakA from Vibrio cholera
分子名称: MakA tetramer
著者Berg, A, Nadeem, A, Uhlin, B.E, Wai, S.N, Barandun, J.
登録日2021-07-08
公開日2022-02-23
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Protein-lipid interaction at low pH induces oligomerization of the MakA cytotoxin from Vibrio cholerae .
Elife, 11, 2022
5LBS
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BU of 5lbs by Molmil
structural basis of Zika and Dengue virus potent antibody cross-neutralization
分子名称: 1,2-ETHANEDIOL, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8, SULFATE ION, ...
著者Vaney, M.C, Rouvinski, A, Barba-Spaeth, G, Rey, F.A.
登録日2016-06-17
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
5X67
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BU of 5x67 by Molmil
Human thymidylate synthase in complex with dUMP and nolatrexed
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase
著者Chen, D, Jansson, A, Larsson, A, Nordlund, P.
登録日2017-02-21
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states.
J. Biol. Chem., 292, 2017
5X71
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BU of 5x71 by Molmil
Crystal structure of Rice Dwarf Virus P5 in space group P212121
分子名称: GUANOSINE-5'-MONOPHOSPHATE, mRNA capping enzyme P5
著者Nakamichi, Y, Higashiura, A, Nakagawa, A.
登録日2017-02-23
公開日2018-02-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.568 Å)
主引用文献Crystal structure of the capping enzyme P5 from Rice Dwarf Virus
To Be Published
5XEZ
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BU of 5xez by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
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, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ...
著者Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
登録日2017-04-06
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
5A3N
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BU of 5a3n by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a
分子名称: 1,2-ETHANEDIOL, 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Nuzzi, A, Ruda, G.F, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U.
登録日2015-06-02
公開日2015-07-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
5XR8
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BU of 5xr8 by Molmil
Crystal structure of the human CB1 in complex with agonist AM841
分子名称: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, CHOLESTEROL, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ...
著者Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
登録日2017-06-07
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structures of agonist-bound human cannabinoid receptor CB1.
Nature, 547, 2017
8ORH
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BU of 8orh by Molmil
Knockout of GMC-oxidoreductase genes reveals that functional redundancy preserves mimivirus essential functions
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase
著者Alempic, J.M, Bisio, H, Villalta, A, Santini, S, Lartigue, A, Schmitt, A, Bugnot, C, Notaro, A, Belmudes, L, Adrait, A, Poirot, O, Ptchelkine, D, De Castro, C, Coute, Y, Abergel, C.
登録日2023-04-14
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Functional redundancy revealed by the deletion of the mimivirus GMC-oxidoreductase genes.
Microlife, 5, 2024
8ORS
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Knockout of GMC-oxidoreductase genes reveals that functional redundancy preserves mimivirus essential functions
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase
著者Alempic, J.M, Bisio, H, Villalta, A, Santini, S, Lartigue, A, Schmitt, A, Bugnot, C, Notaro, A, Belmudes, L, Adrait, A, Poirot, O, Ptchelkine, D, De Castro, C, Coute, Y, Abergel, C.
登録日2023-04-17
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Functional redundancy revealed by the deletion of the mimivirus GMC-oxidoreductase genes.
Microlife, 5, 2024

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