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6UMD
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BU of 6umd by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
7YMJ
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BU of 7ymj by Molmil
Cryo-EM structure of alpha1AAR-Nb6 complex bound to tamsulosin
分子名称: Nb6, Tamsulosin, alpha1A-adrenergic receptor
著者Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
登録日2022-07-28
公開日2023-07-05
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
7YMH
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BU of 7ymh by Molmil
Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to noradrenaline
分子名称: Nb29, Noradrenaline, alpha1A-adrenergic receptor, ...
著者Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
登録日2022-07-28
公開日2023-07-05
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
7YM8
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BU of 7ym8 by Molmil
Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to oxymetazoline
分子名称: CHOLESTEROL HEMISUCCINATE, Oxymetazoline, alpha1A adrenergic receptor, ...
著者Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
登録日2022-07-27
公開日2023-07-05
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
6UME
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BU of 6ume by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
6UMC
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BU of 6umc by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
5KDT
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BU of 5kdt by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE0723
分子名称: (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-06-08
公開日2016-07-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J. Med. Chem., 59, 2016
6ULJ
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BU of 6ulj by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-08
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00045
To Be Published
6UMF
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BU of 6umf by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: Glutaminase kidney isoform, mitochondrial, N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
6UK6
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BU of 6uk6 by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00018
分子名称: 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-04
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00018
To Be Published
5VLR
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BU of 5vlr by Molmil
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR
分子名称: 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Sack, J.S.
登録日2017-04-26
公開日2017-06-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders.
J. Med. Chem., 60, 2017
7CXS
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BU of 7cxs by Molmil
Crystal structure of CmnK, a L-Dap formation enzyme in capreomycin biosynthesis
分子名称: CmnK
著者Chang, C.Y, Hsu, S.H.
登録日2020-09-02
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis.
Biochemistry, 60, 2021
7CXV
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BU of 7cxv by Molmil
Crystal structure of CmnK
分子名称: CmnK
著者Chang, C.Y, Hsu, S.H.
登録日2020-09-02
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis.
Biochemistry, 60, 2021
7CXU
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BU of 7cxu by Molmil
Crystal structure of CmnK in complex with NAD+
分子名称: CmnK, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Chang, C.Y, Hsu, S.H.
登録日2020-09-02
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis.
Biochemistry, 60, 2021
6UJM
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BU of 6ujm by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00013
分子名称: Glutaminase kidney isoform, mitochondrial, N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
著者Huang, Q, Cerione, R.A.
登録日2019-10-03
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00013
To Be Published
6ULA
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BU of 6ula by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-07
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00030
To Be Published
5EGQ
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BU of 5egq by Molmil
Structure of tetrameric rat phenylalanine hydroxylase mutant R270K, residues 25-453
分子名称: Phenylalanine-4-hydroxylase, SULFATE ION
著者Taylor, A.B, Khan, C.A, Fitzpatrick, P.F.
登録日2015-10-27
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Domain Movements upon Activation of Phenylalanine Hydroxylase Characterized by Crystallography and Chromatography-Coupled Small-Angle X-ray Scattering.
J.Am.Chem.Soc., 138, 2016
5H65
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BU of 5h65 by Molmil
Crystal structure of human POT1 and TPP1
分子名称: Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION
著者Chen, C, Wu, J, Lei, M.
登録日2016-11-10
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer.
Nat Commun, 8, 2017
6UL9
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BU of 6ul9 by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00023
分子名称: 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q.Q, Cerione, R.A.
登録日2019-10-07
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
4FS4
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BU of 4fs4 by Molmil
Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Stamford, A.
登録日2012-06-26
公開日2012-10-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
6EUU
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BU of 6euu by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29)
分子名称: (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-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 (2.6 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
6EV0
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BU of 6ev0 by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129)
分子名称: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ...
著者Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, 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 (2.3 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
6EXK
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BU of 6exk by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - unfolded HTH motif
分子名称: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION, ...
著者Hall, M, Grundstrom, C, Begum, A, 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 (2.1 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
5TP9
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BU of 5tp9 by Molmil
Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178)
分子名称: 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-10-20
公開日2016-11-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
8TU6
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BU of 8tu6 by Molmil
CryoEM structure of PI3Kalpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Valverde, R, Shi, H, Holliday, M.
登録日2023-08-15
公開日2023-11-15
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024

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件を2024-11-06に公開中

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