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7EEB
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BU of 7eeb by Molmil
Structure of the CatSpermasome
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, J.P, Ke, M.
登録日2021-03-18
公開日2021-07-28
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of a mammalian sperm cation channel complex.
Nature, 595, 2021
5NQX
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BU of 5nqx by Molmil
Structure of a fHbp(V1.1):PorA(P1.16) chimera. Fusion at fHbp position 294.
分子名称: Factor H binding protein,Major outer membrane protein P.IA,Factor H binding protein
著者Johnson, S, Jongerius, I, Lea, S.M, Tang, C.M.
登録日2017-04-21
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.66 Å)
主引用文献Structure-based design of chimeric antigens for multivalent protein vaccines.
Nat Commun, 9, 2018
6Y16
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BU of 6y16 by Molmil
CRYSTAL STRUCTURE OF TMARGBP DOMAIN 1 IN COMPLEX WITH THE GUANIDINIUM ION
分子名称: 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ...
著者Ruggiero, A, Balasco, N, Smaldone, G, Graziano, G, Vitagliano, L.
登録日2020-02-11
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Guanidinium binding to proteins: The intriguing effects on the D1 and D2 domains of Thermotoga maritima Arginine Binding Protein and a comprehensive analysis of the Protein Data Bank.
Int.J.Biol.Macromol., 163, 2020
7DTU
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BU of 7dtu by Molmil
Human Calcium-Sensing Receptor bound with L-Trp
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, Extracellular calcium-sensing receptor, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTW
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BU of 7dtw by Molmil
Human Calcium-Sensing Receptor in the inactive close-close conformation
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, Extracellular calcium-sensing receptor
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTT
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BU of 7dtt by Molmil
Human Calcium-Sensing Receptor bound with calcium ions
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTV
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Human Calcium-Sensing Receptor bound with L-Trp and calcium ions
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
5TCG
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BU of 5tcg by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate-bound form
分子名称: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, FORMIC ACID, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-15
公開日2017-05-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5TCF
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BU of 5tcf by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form
分子名称: FORMIC ACID, MALONATE ION, POTASSIUM ION, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-15
公開日2017-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
8WPG
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BU of 8wpg by Molmil
Human calcium-sensing receptor bound with cinacalcet in detergent
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, CALCIUM ION, ...
著者Ling, S.L, Meng, X.Y, Tian, C.L.
登録日2023-10-10
公開日2023-11-22
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
8WPU
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BU of 8wpu by Molmil
Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein
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, CALCIUM ION, ...
著者Ling, S.L, Meng, X.Y, Tian, C.L.
登録日2023-10-10
公開日2023-11-22
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
4L8L
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BU of 4l8l by Molmil
Crystal Structure of the Type II Dehydroquinase from Pseudomonas aeruginosa
分子名称: 3-dehydroquinate dehydratase 1
著者Reiling, S.A, Asojo, O.A.
登録日2013-06-17
公開日2014-07-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure of type II dehydroquinase from Pseudomonas aeruginosa.
Acta Crystallogr F Struct Biol Commun, 70, 2014
1GK5
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BU of 1gk5 by Molmil
Solution Structure the mEGF/TGFalpha44-50 chimeric growth factor
分子名称: Pro-epidermal growth factor,Protransforming growth factor alpha
著者Chamberlin, S.G, Brennan, L, Puddicombe, S.M, Davies, D.E, Turner, D.L.
登録日2001-08-08
公開日2002-08-08
最終更新日2018-03-28
実験手法SOLUTION NMR
主引用文献Solution Structure of the Megf/Tgfalpha44-50 Chimeric Growth Factor.
Eur.J.Biochem., 268, 2001
3FLO
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BU of 3flo by Molmil
Crystal structure of the carboxyl-terminal domain of yeast DNA polymerase alpha in complex with its B subunit
分子名称: DNA polymerase alpha catalytic subunit A, DNA polymerase alpha subunit B, SULFATE ION, ...
著者Klinge, S.N, Pellegrini, L.
登録日2008-12-19
公開日2009-06-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献3D architecture of DNA Pol alpha reveals the functional core of multi-subunit replicative polymerases
Embo J., 28, 2009
3OMO
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BU of 3omo by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
分子名称: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
登録日2010-08-27
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
3OMQ
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BU of 3omq by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
分子名称: 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
登録日2010-08-27
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
3OMP
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BU of 3omp by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
分子名称: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
登録日2010-08-27
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
9CE4
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BU of 9ce4 by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6
分子名称: (1S,4r)-4-[(1P)-5-chloro-1-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-6-yl]-1-(oxetan-3-yl)piperidin-1-ium, 1,2-ETHANEDIOL, Serine/threonine-protein kinase Chk1
著者Palte, R.L, Zebisch, M, Henry, C, Barker, J.J.
登録日2024-06-26
公開日2024-09-18
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Discovery and Optimization of N-Heteroaryl Indazole LRRK2 Inhibitors.
J.Med.Chem., 67, 2024
8ZVF
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BU of 8zvf by Molmil
AtALMT9 plus high malate in low pH
分子名称: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Aluminum-activated malate transporter 9
著者Gong, D.S.
登録日2024-06-11
公開日2024-09-25
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Structural insight into the Arabidopsis vacuolar anion channel ALMT9 shows clade specificity.
Cell Rep, 43, 2024
2QD9
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BU of 2qd9 by Molmil
P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds
分子名称: 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2007-06-20
公開日2007-08-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds.
Bioorg.Med.Chem.Lett., 17, 2007
5WZX
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BU of 5wzx by Molmil
Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR
分子名称: (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (R,R)-2,3-BUTANEDIOL, Bile acid receptor, ...
著者Lu, Y, Li, Y.
登録日2017-01-19
公開日2018-01-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Identification of an Oleanane-Type Triterpene Hedragonic Acid as a Novel Farnesoid X Receptor Ligand with Liver Protective Effects and Anti-inflammatory Activity
Mol. Pharmacol., 93, 2018
4N7K
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BU of 4n7k by Molmil
Zinc Substituted Reaction Center of the Rhodobacter sphaeroides
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, FE (III) ION, ...
著者Hardjasa, A, Murphy, M.E.P.
登録日2013-10-15
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural and kinetic properties of Rhodobacter sphaeroides photosynthetic reaction centers containing exclusively Zn-coordinated bacteriochlorophyll as bacteriochlorin cofactors.
Biochim.Biophys.Acta, 1837, 2013
5WFJ
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BU of 5wfj by Molmil
THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR
分子名称: 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
著者Sack, J.
登録日2017-07-12
公開日2017-10-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of highly potent, selective, covalent inhibitors of JAK3.
Bioorg. Med. Chem. Lett., 27, 2017
5W84
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BU of 5w84 by Molmil
CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 4)
分子名称: 4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Sack, J.S.
登録日2017-06-21
公開日2017-10-11
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
8JPC
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BU of 8jpc by Molmil
cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 2
分子名称: 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E.
登録日2023-06-11
公開日2023-08-09
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023

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