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5LXD
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BU of 5lxd by Molmil
Crystal structure of DYRK2 in complex with EHT 1610 (compound 2)
分子名称: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
著者Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-09-20
公開日2016-10-26
最終更新日2017-01-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
6U5Z
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BU of 6u5z by Molmil
Cryo-EM structure of E. coli LonA S679A
分子名称: Lon protease
著者Botos, I, Lountos, G.T, Weimin, W, Wlodawer, A.
登録日2019-08-28
公開日2020-02-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of substrate-free E. coli Lon protease provides insights into the dynamics of Lon machinery
Curr Res Struct Biol, 1, 2020
1R37
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BU of 1r37 by Molmil
Alcohol dehydrogenase from sulfolobus solfataricus complexed with NAD(H) and 2-ethoxyethanol
分子名称: 2-ETHOXYETHANOL, NAD-dependent alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A.
登録日2003-09-30
公開日2004-02-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
Biochemistry, 42, 2003
6IVL
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BU of 6ivl by Molmil
Crystal structure of a membrane protein L259A
分子名称: ACETIC ACID, CHLORIDE ION, Ibestrophin, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
8P5S
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BU of 8p5s by Molmil
Crystal structure of the homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum
分子名称: 2-oxoglutarate dehydrogenase E1/E2 component, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, ...
著者Yang, L, Boyko, A, Bellinzoni, M.
登録日2023-05-24
公開日2023-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.459 Å)
主引用文献High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
3A07
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BU of 3a07 by Molmil
Crystal Structure of Actinohivin; Potent anti-HIV Protein
分子名称: Actinohivin, SODIUM ION
著者Tsunoda, M, Suzuki, K, Sagara, T, Takenaka, A.
登録日2009-03-04
公開日2009-08-25
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Mechanism by which the lectin actinohivin blocks HIV infection of target cells
Proc.Natl.Acad.Sci.USA, 106, 2009
7AHO
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BU of 7aho by Molmil
RUVBL1-RUVBL2 heterohexameric ring after binding of RNA helicase DHX34
分子名称: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2
著者Lopez-Perrote, A, Rodriguez, C.F, Llorca, O.
登録日2020-09-25
公開日2020-11-25
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Regulation of RUVBL1-RUVBL2 AAA-ATPases by the nonsense-mediated mRNA decay factor DHX34, as evidenced by Cryo-EM.
Elife, 9, 2020
7ZFR
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BU of 7zfr by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ...
著者Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
登録日2022-04-01
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
5LEV
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BU of 5lev by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant)
分子名称: UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND
著者Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2016-06-30
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
6IVJ
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BU of 6ivj by Molmil
Crystal structure of a membrane protein G18A
分子名称: ACETIC ACID, CHLORIDE ION, Ibestrophin, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
7APM
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BU of 7apm by Molmil
tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL.
分子名称: CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-10-18
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
4L2N
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BU of 4l2n by Molmil
Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic Intermediates - ligand-free structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ...
著者Liu, F, Liu, A.
登録日2013-06-04
公開日2015-05-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE.
J.Biol.Chem., 290, 2015
6IV2
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BU of 6iv2 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation Y211A
分子名称: Bestrophin homolog, ZINC ION
著者Kittredge, A, Chen, S, Yang, T.
登録日2018-12-02
公開日2019-11-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
5F4Q
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BU of 5f4q by Molmil
Crystal structure of the human egg surface protein Juno
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
1F3S
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BU of 1f3s by Molmil
Solution Structure of DNA Sequence GGGTTCAGG Forms GGGG Tetrade and G(C-A) Triad.
分子名称: DNA (5'-D(*GP*GP*GP*TP*TP*CP*AP*GP*G)-3')
著者Kettani, A, Basu, G, Gorin, A, Majumdar, A, Skripkin, E, Patel, D.J.
登録日2000-06-06
公開日2000-11-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A two-stranded template-based approach to G.(C-A) triad formation: designing novel structural elements into an existing DNA framework.
J.Mol.Biol., 301, 2000
6Y1Y
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BU of 6y1y by Molmil
CheA dimerization domain of Treponema denticola
分子名称: CheA
著者Muok, A.R, Briegel, A, Crane, B.R.
登録日2020-02-14
公開日2020-10-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atypical chemoreceptor arrays accommodate high membrane curvature.
Nat Commun, 11, 2020
6Y4T
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BU of 6y4t by Molmil
Crystal structure of p38 in complex with SR63.
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-02-23
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
5F4T
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BU of 5f4t by Molmil
Crystal structure of the human sperm Izumo1 residues 22-254
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Izumo sperm-egg fusion protein 1
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.083 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
3AH4
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BU of 3ah4 by Molmil
HA1 subcomponent of botulinum type C progenitor toxin complexed with galactose
分子名称: Main hemagglutinin component, beta-D-galactopyranose
著者Nakamura, T, Tonozuka, T, Ide, A, Yuzawa, T, Oguma, K, Nishikawa, A.
登録日2010-04-13
公開日2010-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Sugar-binding sites of the HA1 subcomponent of Clostridium botulinum type C progenitor toxin
J.Mol.Biol., 376, 2008
1JI1
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BU of 1ji1 by Molmil
Crystal Structure Analysis of Thermoactinomyces vulgaris R-47 alpha-Amylase 1
分子名称: ALPHA-AMYLASE I, CALCIUM ION
著者Kamitori, S, Abe, A, Ohtaki, A, Kaji, A, Tonozuka, T, Sakano, Y.
登録日2001-06-28
公開日2002-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures and structural comparison of Thermoactinomyces vulgaris R-47 alpha-amylase 1 (TVAI) at 1.6 A resolution and alpha-amylase 2 (TVAII) at 2.3 A resolution.
J.Mol.Biol., 318, 2002
4Z5T
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BU of 4z5t by Molmil
The nucleosome containing human H3.5
分子名称: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Urahama, T, Harada, A, Maehara, K, Horikoshi, N, Sato, K, Sato, Y, Shiraishi, K, Sugino, N, Osakabe, A, Tachiwana, H, Kagawa, W, Kimura, H, Ohkawa, Y, Kurumizaka, H.
登録日2015-04-03
公開日2016-02-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Histone H3.5 forms an unstable nucleosome and accumulates around transcription start sites in human testis.
Epigenetics Chromatin, 9, 2016
5F34
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BU of 5f34 by Molmil
Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with S-hexadecyl Coenzyme A - P21 space group
分子名称: Phosphatidylinositol mannoside acyltransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
著者Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E.
登録日2015-12-02
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.281 Å)
主引用文献Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
2MA4
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BU of 2ma4 by Molmil
Solution NMR Structure of yahO protein from Salmonella typhimurium, Northeast Structural Genomics Consortium (NESG) Target StR106
分子名称: Putative periplasmic protein
著者Eletsky, A, Zhang, Q, Liu, G, Wang, H, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-27
公開日2013-08-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
6Y4X
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BU of 6y4x by Molmil
Crystal structure of p38 in complex with SR72
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-02-23
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
1WER
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BU of 1wer by Molmil
RAS-GTPASE-ACTIVATING DOMAIN OF HUMAN P120GAP
分子名称: P120GAP
著者Scheffzek, K, Lautwein, A, Kabsch, W, Ahmadian, M.R, Wittinghofer, A.
登録日1996-11-20
公開日1997-12-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the GTPase-activating domain of human p120GAP and implications for the interaction with Ras.
Nature, 384, 1996

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