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4CWT
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BU of 4cwt by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
8UOR
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BU of 8uor by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19E)
分子名称: 1,2-ETHANEDIOL, Asparaginase, CHLORIDE ION
著者Lubkowski, J, Wlodawer, A, Zhang, D.
登録日2023-10-20
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
1KIO
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BU of 1kio by Molmil
SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI[L30R, K31M]
分子名称: SERINE PROTEASE INHIBITOR I
著者Gaspari, Z, Patthy, A, Graf, L, Perczel, A.
登録日2001-12-03
公開日2001-12-12
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002
8UP8
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BU of 8up8 by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21F, complex with L-Asp)
分子名称: ASPARTIC ACID, Asparaginase, CHLORIDE ION, ...
著者Lubkowski, J, Wlodawer, A, Zhang, D.
登録日2023-10-21
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
4CUQ
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BU of 4cuq by Molmil
Crystal structure of human BAZ2B in complex with fragment-2 N09594
分子名称: 4-[(3S)-3-hydroxy-3-methoxypropyl]phenol, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
著者Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
登録日2014-03-21
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structure of Human Baz2B in Complex with Fragment-2 N09594
To be Published
6SP1
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BU of 6sp1 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 6
分子名称: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
著者Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
登録日2019-08-30
公開日2020-06-03
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
5N1I
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BU of 5n1i by Molmil
unliganded form of the Mycobacterium tuberculosis repressor EthR2
分子名称: Probable transcriptional regulatory protein
著者Wintjens, R, Wohlkonig, A.
登録日2017-02-06
公開日2017-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420.
Science, 355, 2017
6BFM
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BU of 6bfm by Molmil
Galactose-binding Lectin from Mytilus californianus, Isoform1
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Hernandez-Santoyo, A, Garcia-Maldonado, E.
登録日2017-10-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.488 Å)
主引用文献Glycan-induced oligomerization of a lectin from Mytilus californianus
To Be Published
7SSJ
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BU of 7ssj by Molmil
Crystal structure of the DesK-DesR complex in the phosphatase state
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Trajtenberg, F, Buschiazzo, A.
登録日2021-11-11
公開日2022-11-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献An allosteric switch ensures efficient unidirectional information transmission by the histidine kinase DesK from Bacillus subtilis.
Sci.Signal., 16, 2023
4CUP
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BU of 4cup by Molmil
Crystal structure of human BAZ2B in complex with fragment-1 N09421
分子名称: 4-Fluorobenzamidoxime, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, METHANOL
著者Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
登録日2014-03-21
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal Structure of Human Baz2B in Complex with Fragment-1 N09421
To be Published
1I74
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BU of 1i74 by Molmil
STREPTOCOCCUS MUTANS INORGANIC PYROPHOSPHATASE
分子名称: MAGNESIUM ION, MANGANESE (II) ION, PROBABLE MANGANESE-DEPENDENT INORGANIC PYROPHOSPHATASE, ...
著者Merckel, M.C, Fabrichniy, I.P, Goldman, A, Lahti, R, Salminen, A.
登録日2001-03-07
公開日2001-06-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Streptococcus mutans pyrophosphatase: a new fold for an old mechanism.
Structure, 9, 2001
5MZL
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BU of 5mzl by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule N-quinolin-5-ylpyridine-3-carboxamide
分子名称: GLYCEROL, Pimtide, Serine/threonine-protein kinase pim-1, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-01
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.955 Å)
主引用文献A crystallographic fragment study with human Pim-1 kinase
to be published
2I7G
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BU of 2i7g by Molmil
Crystal Structure of Monooxygenase from Agrobacterium tumefaciens
分子名称: DI(HYDROXYETHYL)ETHER, Monooxygenase, SULFATE ION
著者Kim, Y, Xu, X, Zheng, H, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-08-30
公開日2006-10-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The Crystal Structure of Monooxygenase from Agrobacterium tumefaciens
To be Published, 2006
4CWQ
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BU of 4cwq by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
分子名称: 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
登録日2014-04-03
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
8UOU
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BU of 8uou by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum in complex with L-Asp
分子名称: ASPARTIC ACID, Asparaginase, CHLORIDE ION
著者Lubkowski, J, Wlodawer, A, Zhang, D.
登録日2023-10-20
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
3DB4
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BU of 3db4 by Molmil
Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1
分子名称: E3 ubiquitin-protein ligase UHRF1, SULFATE ION
著者Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-05-30
公開日2008-09-16
最終更新日2012-04-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
5N4O
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BU of 5n4o by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule (E)-3-(p-tolyl)acrylic acid
分子名称: (~{E})-3-(4-methylphenyl)prop-2-enoic acid, Pimtide, Serine/threonine-protein kinase pim-1
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-11
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献A crystallographic fragment study with human Pim-1 kinase
to be published
4CT3
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BU of 4ct3 by Molmil
Methylmercury chloride derivative structure of the lytic CHAPK domain of the endolysin LysK from Staphylococcus aureus bacteriophage K
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Sanz-Gaitero, M, Keary, R, Garcia-Doval, C, Coffey, A, van Raaij, M.J.
登録日2014-03-12
公開日2014-08-06
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of the lytic CHAP(K) domain of the endolysin LysK from Staphylococcus aureus bacteriophage K.
Virol. J., 11, 2014
5N1J
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BU of 5n1j by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, ...
著者Giastas, P, Andreou, A, Balomenou, S, Bouriotis, V, Eliopoulos, E.E.
登録日2017-02-06
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
5T5B
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BU of 5t5b by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF 10E8 FAB LIGHT CHAIN MUTANT5 AND T117V2 HIV-1 MPER SCAFFOLD
分子名称: 10E8 EPITOPE SCAFFOLD T117V2, Antibody 10E8 FAB HEAVY CHAIN, Antibody 10E8 FAB LIGHT CHAIN MUTATED, ...
著者Irimia, A, Wilson, I.A.
登録日2016-08-30
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Lipid interactions and angle of approach to the HIV-1 viral membrane of broadly neutralizing antibody 10E8: Insights for vaccine and therapeutic design.
PLoS Pathog., 13, 2017
8UOW
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BU of 8uow by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21A)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Asparaginase
著者Lubkowski, J, Wlodawer, A, Zhang, D.
登録日2023-10-20
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
8V6L
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BU of 8v6l by Molmil
Open-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-12-01
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
5N2U
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BU of 5n2u by Molmil
Influenza D virus nucleoprotein
分子名称: Nucleoprotein
著者Labaronne, A, Ruigrok, R.W.H, Crepin, T.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of the nucleoprotein of Influenza D shows that all Orthomyxoviridae nucleoproteins have a similar NPCORE, with or without a NPTAILfor nuclear transport.
Sci Rep, 9, 2019
8V6M
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BU of 8v6m by Molmil
Inactivated-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-12-01
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
8U7U
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BU of 8u7u by Molmil
Proteasome 20S Core Particle from Beta 3 D205 deletion
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J.
登録日2023-09-15
公開日2024-04-17
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.16 Å)
主引用文献Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024

223790

件を2024-08-14に公開中

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