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7MCL
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BU of 7mcl by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma-lyase, PLP bound
分子名称: Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
著者Nuthanakanti, A, Serganov, A, Kaushik, A.
登録日2021-04-02
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MCY
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BU of 7mcy by Molmil
Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL3
分子名称: 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, ...
著者Nuthanakanti, A, Serganov, A, Kaushik, A.
登録日2021-04-02
公開日2021-06-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MD8
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BU of 7md8 by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant co-crystallized with NL2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ...
著者Nuthanakanti, A, Serganov, A, Kaushik, A.
登録日2021-04-03
公開日2021-06-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
7MDA
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BU of 7mda by Molmil
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ...
著者Nuthanakanti, A, Serganov, A, Kaushik, A.
登録日2021-04-03
公開日2021-06-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
6HHF
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BU of 6hhf by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib
分子名称: Borussertib, RAC-alpha serine/threonine-protein kinase
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer.
Cancer Res., 79, 2019
6HHG
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BU of 6hhg by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 27
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
6HHI
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BU of 6hhi by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
6HHJ
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BU of 6hhj by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
6HHH
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Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 31
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
7NH4
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BU of 7nh4 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
分子名称: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2021-02-10
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
7NH5
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BU of 7nh5 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
分子名称: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2021-02-10
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
8G9Z
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BU of 8g9z by Molmil
High-resolution crystal structure of the human selenomethionine-derived SepSecS-tRNASec complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, ...
著者Puppala, A, Simonovic, M, Castillo Suchkou, J.
登録日2023-02-22
公開日2023-04-05
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans.
Nucleic Acids Res., 51, 2023
4UNL
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BU of 4unl by Molmil
Crystal structure of a single mutant (N71D) of triosephosphate isomerase from human
分子名称: TRIOSEPHOSPHATE ISOMERASE
著者DeLaMora-DeLaMora, I, Torres-Larios, A, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Gomez-Manzo, S, Lopez-Velazquez, G, Marcial-Quino, J, Torres-Arroyo, A, Garcia-Torres, I, Reyes-Vivas, H, Oria-Hernandez, J.
登録日2014-05-29
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of a Single Mutant (N71D) of Triosephosphate Isomerase from Human
To be Published
1PZY
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BU of 1pzy by Molmil
W314A-BETA1,4-GALACTOSYLTRANSFERASE-I COMPLEXED WITH ALPHA-LACTALBUMIN IN THE PRESENCE OF N-ACETYLGLUCOSAMINE, UDP AND MANGANESE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, ...
著者Ramasamy, V, Ramakrishnan, B, Boeggeman, E, Qasba, P.K.
登録日2003-07-14
公開日2003-09-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Role of Tryptophan 314 in the Conformational Changes of beta 1,4-Galactosyltransferase-I
J.Mol.Biol., 331, 2003
4WDT
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BU of 4wdt by Molmil
17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol
分子名称: 2-nitro-5-(phenylsulfonyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Amano, Y, Yamaguchi, T.
登録日2014-09-09
公開日2015-04-15
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
4WDU
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BU of 4wdu by Molmil
17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide
分子名称: 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Amano, Y, Yamaguchi, T.
登録日2014-09-09
公開日2015-04-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
6S9W
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BU of 6s9w by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
6S9X
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BU of 6s9x by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
1DKR
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BU of 1dkr by Molmil
CRYSTAL STRUCTURES OF BACILLUS SUBTILIS PHOSPHORIBOSYLPYROPHOSPHATE SYNTHETASE: MOLECULAR BASIS OF ALLOSTERIC INHIBITION AND ACTIVATION.
分子名称: PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE, SULFATE ION
著者Eriksen, T.A, Kadziola, A, Bentsen, A.-K, Harlow, K.W, Larsen, S.
登録日1999-12-08
公開日2000-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the function of Bacillus subtilis phosphoribosyl-pyrophosphate synthetase.
Nat.Struct.Biol., 7, 2000
7L1T
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BU of 7l1t by Molmil
Crystal structure of human holo SepSecS
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, PHOSPHATE ION
著者Puppala, A, Castillo Suchkou, J, Simonovic, M.
登録日2020-12-15
公開日2022-02-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans.
Nucleic Acids Res., 2023
6OFC
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BU of 6ofc by Molmil
Crystal structure of M. tuberculosis glutamine-dependent NAD+ synthetase complexed with Sulfonamide derivative 1, pyrophosphate, and glutamine
分子名称: 5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine, CHLORIDE ION, GLUTAMINE, ...
著者Chuenchor, W, Doukov, T.I, Gerratana, B.
登録日2019-03-28
公開日2020-01-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Different ways to transport ammonia in human and Mycobacterium tuberculosis NAD+synthetases.
Nat Commun, 11, 2020
7BCZ
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BU of 7bcz by Molmil
Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa
分子名称: 4'-phosphopantetheinyl transferase EntD, COENZYME A, MAGNESIUM ION, ...
著者Carivenc, C, Mourey, L, Pedelacq, J.D.
登録日2020-12-21
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
1G4Y
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BU of 1g4y by Molmil
1.60 A CRYSTAL STRUCTURE OF THE GATING DOMAIN FROM SMALL CONDUCTANCE POTASSIUM CHANNEL COMPLEXED WITH CALCIUM-CALMODULIN
分子名称: CALCIUM ION, CALCIUM-ACTIVATED POTASSIUM CHANNEL RSK2, CALMODULIN, ...
著者Schumacher, M.A, Rivard, A, Bachinger, H.P, Adelman, J.P.
登録日2001-01-07
公開日2001-05-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the gating domain of a Ca2+-activated K+ channel complexed with Ca2+/calmodulin.
Nature, 410, 2001
1N4R
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BU of 1n4r by Molmil
Protein Geranylgeranyltransferase type-I Complexed with a Geranylgeranylated KKKSKTKCVIL Peptide Product
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Fusion protein consisting of transforming protein p21b and Ras related protein Rap-2b, ...
著者Taylor, J.S, Reid, T.S, Casey, P.J, Beese, L.S.
登録日2002-11-01
公開日2003-11-18
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of mammalian protein geranylgeranyltransferase type-I
EMBO J., 22, 2003
1N4P
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BU of 1n4p by Molmil
Protein Geranylgeranyltransferase type-I Complexed with Geranylgeranyl Diphosphate
分子名称: CHLORIDE ION, Fusion protein consisting of transforming protein p21b and Ras related protein Rap-2b, GERAN-8-YL GERAN, ...
著者Taylor, J.S, Reid, T.S, Casey, P.J, Beese, L.S.
登録日2002-11-01
公開日2003-11-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of mammalian protein geranylgeranyltransferase type-I
EMBO J., 22, 2003

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