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8XXA
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Rhodothermus marinus alpha-amylase RmGH13_47A CBM48-A-B-C domains in complex with branched pentasaccharide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Tonozuka, T.
登録日2024-01-18
公開日2024-02-07
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the recognition of alpha-1,6-branched alpha-glucan by GH13_47 alpha-amylase from Rhodothermus marinus.
Proteins, 92, 2024
8XAR
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BU of 8xar by Molmil
Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54
分子名称: 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ...
著者Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L.
登録日2023-12-05
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
8W0H
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BU of 8w0h by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form)
分子名称: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-02-13
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form)
To be published
8V9Q
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BU of 8v9q by Molmil
Crystal structure of mGalNAc-T1 in complex with the mucin glycopeptide Muc5AC-13, Mn2+, and UDP.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Samara, N.L, Collette, A.M.
登録日2023-12-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献An unusual dual sugar-binding lectin domain controls the substrate specificity of a mucin-type O-glycosyltransferase.
Sci Adv, 10, 2024
9EQ1
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BU of 9eq1 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
To Be Published
8UCT
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BU of 8uct by Molmil
Crystal structure of TcPINK1 in complex with PRT
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, SULFATE ION, ...
著者Veyron, S, Rasool, S, Trempe, J.F.
登録日2023-09-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Characterization of a new family of PINK1 inhibitors
To Be Published
8V9P
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Proteus vulgaris tryptophan indole-lyase complexed with (3S)-dioxindolyl-L-alanine
分子名称: (2~{E})-2-[(~{Z})-[2-methyl-3-oxidanyl-5-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]-1~{H}-pyridin-4-ylidene]methyl]imino-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-1~{H}-indol-3-yl]propanoic acid, DIMETHYL SULFOXIDE, POTASSIUM ION, ...
著者Phillips, R.S.
登録日2023-12-08
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Proteus vulgaris tryptophan indole-lyase complexed with L-ethionine
To Be Published
8UK6
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Candida albicans glutaminyl tRNA synthetase (GLN4) in complex with N-pyrimidinyl-beta-thiophenylacrylamide
分子名称: (2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide, ZINC ION, glutamine--tRNA ligase
著者Sychantha, D, Wright, G.D.
登録日2023-10-12
公開日2024-03-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl-beta-thiophenylacrylamides exerts highly selective antifungal activity.
Cell Chem Biol, 31, 2024
8X0X
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BU of 8x0x by Molmil
Crystal structure of JE-5C in complex with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JE-5C Fab, Light chain of JE-5C Fab, ...
著者Mohapatra, A, Chen, X.
登録日2023-11-06
公開日2024-06-05
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8UFO
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BU of 8ufo by Molmil
Crystal Structure of Gastrointestinal HAstV VA1 capsid spike domain at 1.46 A resolution
分子名称: Capsid polyprotein VP90
著者Ghosh, A, DuBois, R.M.
登録日2023-10-04
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure and antigenicity of the divergent human astrovirus VA1 capsid spike.
Plos Pathog., 20, 2024
8WT1
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BU of 8wt1 by Molmil
Crystal structure of S9 carboxypeptidase from Geobacillus sterothermophilus
分子名称: ALANINE, CITRATE ANION, GLYCEROL, ...
著者Chandravanshi, K, Kumar, A, Sen, C, Singh, R, Bhange, G.B, Makde, R.D.
登録日2023-10-17
公開日2024-03-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and solution scattering of Geobacillus stearothermophilus S9 peptidase reveal structural adaptations for carboxypeptidase activity.
Febs Lett., 598, 2024
8WFE
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BU of 8wfe by Molmil
The Crystal Structure of PPARg from Biortus.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor gamma
著者Wang, F, Cheng, W, Lv, Z, Guo, S, Lin, D.
登録日2023-09-19
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of PPARg from Biortus.
To Be Published
8UUH
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BU of 8uuh by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
9FDD
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BU of 9fdd by Molmil
The crystal structure of full length tetramer CysB from Klebsiella aerogenes in complex with N-acetylserine
分子名称: HTH-type transcriptional regulator CysB, N-ACETYL-SERINE
著者Verschueren, K.H.G, Dodson, E.J, Wilkinson, A.J.
登録日2024-05-16
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Crystal Structure of CysB from Klebsiella aerogenes Bound to the Inducer, N-acetylserine
To Be Published
9EQ0
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BU of 9eq0 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12
分子名称: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide
著者Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12
To Be Published
8VEK
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BU of 8vek by Molmil
IsPETase - ACC mutant
分子名称: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2023-12-19
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8YHV
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BU of 8yhv by Molmil
Structure of the VP40 from Biortus.
分子名称: Matrix protein VP40
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
登録日2024-02-28
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the VP40 from Biortus.
To Be Published
8U8K
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BU of 8u8k by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
分子名称: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
著者Anderson, J.W, Vigers, G.P.
登録日2023-09-18
公開日2024-03-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8WFR
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BU of 8wfr by Molmil
The Crystal Structure of PCSK9 from Biortus.
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y.
登録日2023-09-20
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crystal Structure of PCSK9 from Biortus.
To Be Published
8XHA
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BU of 8xha by Molmil
Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor and L-glutamate
分子名称: 8-amino-7-oxononanoate synthase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE
著者Xu, M.J, Zhang, D.K.
登録日2023-12-17
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate.
Int.J.Biol.Macromol., 268, 2024
8VL0
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BU of 8vl0 by Molmil
The crystal structure of wild-type CYP199A4 bound to 4-(2-oxopropyl)benzoic acid
分子名称: 4-(2-oxopropyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2024-01-11
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.837 Å)
主引用文献The crystal structure of wild-type CYP199A4 bound to 4-(2-oxopropyl)benzoic acid
To Be Published
8UZN
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BU of 8uzn by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (AMP bound)
分子名称: ADENOSINE MONOPHOSPHATE, Betaine aldehyde dehydrogenase, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-11-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (AMP bound)
To be published
8YJM
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BU of 8yjm by Molmil
Structure of human SPT16 MD-CTD and MCM2 HBD chaperoning a histone H3-H4 tetramer and a single chain H2B-H2A chimera
分子名称: DNA replication licensing factor MCM2, FACT complex subunit SPT16, Histone H2B 1/2/3/4/6,Histone H2A type 1-D, ...
著者Gan, S.L, Yang, W.S, Xu, R.M.
登録日2024-03-02
公開日2024-03-20
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (4.15 Å)
主引用文献Structure of a histone hexamer bound by the chaperone domains of SPT16 and MCM2.
Sci China Life Sci, 67, 2024
8ZMM
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Structure of a triple-helix region of human Collagen type IV from Trautec
分子名称: collagen type IV
著者Chu, Y, Zhai, Y, Fan, X, Fu, S, Li, J, Wu, X, Cai, H, Wang, X, Li, D, Feng, P, Cao, K, Qian, S.
登録日2024-05-23
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of a triple-helix region of human Collagen type IV from Trautec
To Be Published
8W72
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Crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Fang, C, Zhang, L, Zhu, Y, Zhang, C.
登録日2023-08-30
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
To Be Published

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件を2024-07-17に公開中

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