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8JXZ
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BU of 8jxz by Molmil
Chitin binding SusD-like protein AqSusD in complex with (GlcNAc)3
分子名称: 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, SusD-like protein AqSusD
著者Yang, J.
登録日2023-07-01
公開日2023-11-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights of a SusD-like protein in marine Bacteroidetes bacteria reveal the molecular basis for chitin recognition and acquisition.
Febs J., 291, 2024
3CCN
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BU of 3ccn by Molmil
X-ray structure of c-Met with triazolopyridazine inhibitor.
分子名称: 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor
著者Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F.
登録日2008-02-26
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
4RGB
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BU of 4rgb by Molmil
Crystal structure of a putative carveol dehydrogenase from Mycobacterium avium bound to NAD
分子名称: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4RCE
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BU of 4rce by Molmil
Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2
分子名称: (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, IODIDE ION
著者Whittington, D.A, Long, A.M.
登録日2014-09-15
公開日2014-12-24
最終更新日2015-01-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
3OMG
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BU of 3omg by Molmil
Structure of human SND1 extended tudor domain in complex with the symmetrically dimethylated arginine PIWIL1 peptide R14me2s
分子名称: Staphylococcal nuclease domain-containing protein 1, dimethylated arginine peptide R14me2s
著者Lam, R, Liu, K, Guo, Y.H, Bian, C.B, Xu, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-08-26
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for recognition of arginine methylated Piwi proteins by the extended Tudor domain.
Proc.Natl.Acad.Sci.USA, 107, 2010
4RER
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BU of 4rer by Molmil
Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ...
著者Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
登録日2014-09-23
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.047 Å)
主引用文献Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
8JHV
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BU of 8jhv by Molmil
The first crystal structure of a H-2Kb-restricted decapeptide from Cryptosporidium parvum
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
著者Fan, S, Wang, Y, Zhao, J.
登録日2023-05-25
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献The first crystal structure of a H-2Kb-restricted decapeptide from Cryptosporidium parvum
To Be Published
8JK3
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BU of 8jk3 by Molmil
Crystal Structure of Bel-1 Extended Spectrum Beta-lactamase in Hexagonal Form
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase, ...
著者Dhankhar, K, Hazra, S.
登録日2023-05-31
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Bel-1 ESBL in Hexagonal Form
To Be Published
4LD6
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BU of 4ld6 by Molmil
PWWP domain of human PWWP Domain-Containing Protein 2B
分子名称: GLYCEROL, PWWP domain-containing protein 2B, UNKNOWN ATOM OR ION
著者Dong, A, Dombrovski, L, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2013-06-24
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of PWWP domain of human PWWP Domain-Containing Protein 2B
To be Published
8JOI
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BU of 8joi by Molmil
Crystal Structure of Bel-1 E166A Mutant.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, Beta-lactamase, ...
著者Dhankhar, K, Hazra, S.
登録日2023-06-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Bel-1 E166A Mutant
To Be Published
8I7E
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BU of 8i7e by Molmil
Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A
分子名称: Glyceraldehyde-3-phosphate dehydrogenase
著者Kumar, N, Dilawari, R, Chaubey, G.K, Modanwal, R, Talukdar, S, Dhiman, A, Chaudhary, S, Patidar, A, Kumar, A, Raje, C.I, Raje, M, Kumaran, S.
登録日2023-01-31
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A
To Be Published
8KGS
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BU of 8kgs by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
分子名称: DNA topoisomerase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Cong, J, Xin, Y, Li, X, Chen, Y.
登録日2023-08-19
公開日2024-04-03
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structural insights into the DNA topoisomerase II of the African swine fever virus.
Nat Commun, 15, 2024
8JU8
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BU of 8ju8 by Molmil
de novo designed protein
分子名称: de novo designed protein
著者Zhang, L.
登録日2023-06-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献de novo designed Rossmann fold protein
To Be Published
4NJ2
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BU of 4nj2 by Molmil
GCN4-p1 triple Val9, 23,30 to Ile mutant
分子名称: GLYCEROL, General control protein GCN4
著者Oshaben, K.M, Horne, W.S.
登録日2013-11-08
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Tuning assembly size in Peptide-based supramolecular polymers by modulation of subunit association affinity.
Biomacromolecules, 15, 2014
7LT4
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BU of 7lt4 by Molmil
The aminoacrylate form of the beta-K167T mutant Tryptophan Synthase at 1.80 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-02-18
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The aminoacrylate form of the beta-K167T mutant Tryptophan Synthase at 1.80 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site
To be Published
4MOT
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BU of 4mot by Molmil
Structure of Streptococcus pneumonia pare in complex with AZ13072886
分子名称: 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B
著者Ogg, D, Boriack-Sjodin, P.A.
登録日2013-09-12
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
4MUW
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BU of 4muw by Molmil
Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor
分子名称: 2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine, GLYCEROL, SULFATE ION, ...
著者Chmait, S, Jordan, S.
登録日2013-09-23
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
8I6K
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BU of 8i6k by Molmil
Structure of hMNDA HIN with dsDNA
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ...
著者Li, Y.L, Jin, T.C.
登録日2023-01-28
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural mechanism of dsDNA recognition by the hMNDA HIN domain: New insights into the DNA-binding model of a PYHIN protein.
Int.J.Biol.Macromol., 245, 2023
3BYC
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BU of 3byc by Molmil
Joint neutron and X-ray structure of diisopropyl fluorophosphatase. Deuterium occupancies are 1-Q, where Q is occupancy of H
分子名称: CALCIUM ION, Diisopropyl-fluorophosphatase
著者Blum, M.-M, Mustyakimov, M, Ruterjans, H, Schoenborn, B.P, Langan, P, Chen, J.C.-H.
登録日2008-01-15
公開日2009-01-27
最終更新日2024-02-21
実験手法NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
主引用文献Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement.
Proc.Natl.Acad.Sci.Usa, 106, 2009
3P85
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BU of 3p85 by Molmil
Crystal structure enoyl-coa hydratase from mycobacterium avium
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CACODYLATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-10-13
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4RCD
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BU of 4rcd by Molmil
Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor
分子名称: (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2014-09-15
公開日2015-01-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibitors of beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718).
J.Med.Chem., 57, 2014
3MHH
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BU of 3mhh by Molmil
Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module
分子名称: Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ...
著者Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C.
登録日2010-04-08
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural insights into the assembly and function of the SAGA deubiquitinating module.
Science, 328, 2010
7KWM
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BU of 7kwm by Molmil
CtBP1 (28-375) L182F/V185T - AMP
分子名称: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION
著者Royer, W.E, Del Campo, M.
登録日2020-12-01
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
4QCC
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BU of 4qcc by Molmil
Structure of a cube-shaped, highly porous protein cage designed by fusing symmetric oligomeric domains
分子名称: 2-dehydro-3-deoxy-6-phosphogalactonate aldolase, peptidyl-prolyl cis-trans isomerase chimera
著者Lai, Y.-T, Yeates, T.O.
登録日2014-05-10
公開日2014-11-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (7.078 Å)
主引用文献Structure of a designed protein cage that self-assembles into a highly porous cube.
Nat Chem, 6, 2014
4Q04
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BU of 4q04 by Molmil
Crystal structure of URE3-BP from Entomaeba histolytica without calcium
分子名称: GLYCEROL, MAGNESIUM ION, SODIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-03-31
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of URE3-BP from Entomaeba histolytica
TO BE PUBLISHED

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