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5SHP
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BU of 5shp by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(ccc2c1nccc2)[nH]c(n3)SCc4ncc(c(c4C)OC)C, micromolar IC50=0.046043
分子名称: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline, MAGNESIUM ION, ZINC ION, ...
著者Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
9BOX
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BU of 9box by Molmil
Room-temperature X-ray structure of human mitochondrial serine hydroxymethyltransferase (hSHMT2) with PLP-glycine external aldimine and 5-formyltetrahydrofolate (folinic acid)
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)glycine, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, Serine hydroxymethyltransferase, ...
著者Drago, V.N, Kovalevsky, A.
登録日2024-05-06
公開日2024-08-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Chem Sci, 15, 2024
9FLB
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BU of 9flb by Molmil
Crystal structure of haspin (GSG2) in complex with MU1464
分子名称: 5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine, SODIUM ION, Serine/threonine-protein kinase haspin
著者Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-06-04
公開日2024-09-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of haspin (GSG2) in complex with MU1464
To Be Published
9FLQ
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BU of 9flq by Molmil
Crystal structure of human Haspin (GSG2) kinase bound to MU1959
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, ...
著者Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-06-05
公開日2024-09-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of human Haspin (GSG2) kinase bound to MU1959
To Be Published
8WOW
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BU of 8wow by Molmil
Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, I160L/G233A mutant
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, UDP-glucose 4-epimerase 2, ...
著者Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S.
登録日2023-10-08
公開日2024-05-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Plant J., 119, 2024
9FLT
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BU of 9flt by Molmil
Crystal structure of human Haspin (GSG2) kinase bound to chemical probe MU1920
分子名称: NICKEL (II) ION, Serine/threonine-protein kinase haspin, ~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine
著者Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-06-05
公開日2024-09-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human Haspin (GSG2) kinase bound to chemical probe MU1920
To Be Published
9BOW
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BU of 9bow by Molmil
X-ray structure of Thermus thermophilus serine hydroxymethyltransferase with PLP-L-Ser external aldimine and 5-formyltetrahydrofolate (folinic acid)
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SERINE, ...
著者Drago, V.N, Kovalevsky, A.
登録日2024-05-06
公開日2024-08-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Chem Sci, 15, 2024
9FYF
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BU of 9fyf by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818
分子名称: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide
著者Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-07-03
公開日2024-09-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818
To Be Published
9BPE
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BU of 9bpe by Molmil
Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state and folinic acid bound
分子名称: ACETATE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
著者Drago, V.N, Kovalevsky, A.
登録日2024-05-07
公開日2024-08-28
実験手法NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Chem Sci, 15, 2024
9CTR
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BU of 9ctr by Molmil
Best1 + GABA intermediate state 1
分子名称: Bestrophin-1, CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID
著者Owji, A.P, Kittredge, A, Zhang, Y, Yang, T.
登録日2024-07-25
公開日2024-09-25
実験手法ELECTRON MICROSCOPY (2.42 Å)
主引用文献GAD65 tunes the functions of Best1 as a GABA receptor and a neurotransmitter conducting channel.
Nat Commun, 15, 2024
9CTQ
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BU of 9ctq by Molmil
Best1 + GABA open state
分子名称: Bestrophin-1, CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID
著者Owji, A.P, Kittredge, A, Zhang, Y, Yang, T.
登録日2024-07-25
公開日2024-09-25
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献GAD65 tunes the functions of Best1 as a GABA receptor and a neurotransmitter conducting channel.
Nat Commun, 15, 2024
9CTS
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BU of 9cts by Molmil
Best1 + GABA intermediate state 2
分子名称: Bestrophin-1, CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID
著者Owji, A.P, Kittredge, A, Zhang, Y, Yang, T.
登録日2024-07-25
公開日2024-09-25
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献GAD65 tunes the functions of Best1 as a GABA receptor and a neurotransmitter conducting channel.
Nat Commun, 15, 2024
9CTT
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BU of 9ctt by Molmil
Best1 + GABA closed state
分子名称: Bestrophin-1, CALCIUM ION
著者Owji, A.P, Kittredge, A, Zhang, Y, Yang, T.
登録日2024-07-25
公開日2024-09-25
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献GAD65 tunes the functions of Best1 as a GABA receptor and a neurotransmitter conducting channel.
Nat Commun, 15, 2024
9ASP
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BU of 9asp by Molmil
Human Drosha and DGCR8 in complex with Pri-let-7a1
分子名称: CALCIUM ION, Isoform 4 of Drosha, Microprocessor complex subunit DGCR8, ...
著者Garg, A, Joshua-Tor, L.
登録日2024-02-26
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献RNAi_protein_a1
To Be Published
7ZHN
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BU of 7zhn by Molmil
Crystal structure of TTBK1 in complex with AMG28
分子名称: 1,2-ETHANEDIOL, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, PHOSPHATE ION, ...
著者Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-04-06
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
2ZMU
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BU of 2zmu by Molmil
Crystal Structure of Monomeric Kusabira-Orange (MKO), Orange-Emitting GFP-like Protein, at pH 9.1
分子名称: Fluorescent protein
著者Kikuchi, A, Fukumura, E, Karasawa, S, Mizuno, H, Miyawaki, A, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-04-21
公開日2008-10-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Characterization of a Thiazoline-Containing Chromophore in an Orange Fluorescent Protein, Monomeric Kusabira Orange
Biochemistry, 47, 2008
4OP4
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BU of 4op4 by Molmil
Crystal structure of the catalytic domain of DapE protein from V.cholerea in the Zn bound form
分子名称: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, GLYCEROL, ...
著者Nocek, B, Makowska-Grzyska, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-02-04
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献The Dimerization Domain in DapE Enzymes Is required for Catalysis.
Plos One, 9, 2014
2N3Y
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BU of 2n3y by Molmil
NMR structure of the Y48pCMF variant of human cytochrome c in its reduced state
分子名称: Cytochrome c, Mesoheme
著者Moreno-Beltran, B, Del Conte, R, Diaz-Quintana, A, De la Rosa, M.A, Turano, P, Diaz-Moreno, I.
登録日2015-06-15
公開日2016-12-14
最終更新日2017-04-26
実験手法SOLUTION NMR
主引用文献Structural basis of mitochondrial dysfunction in response to cytochrome c phosphorylation at tyrosine 48.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2ZO4
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BU of 2zo4 by Molmil
Crystal structure of metallo-beta-lactamase family protein TTHA1429 from Thermus thermophilus HB8
分子名称: Metallo-beta-lactamase family protein, ZINC ION
著者Yamamura, A, Nagata, K, Agari, Y, Ebihara, A, Nakagawa, N, Yokoyama, S, Kuramitsu, S, Tanokura, M.
登録日2008-05-05
公開日2009-03-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of TTHA1429, a novel metallo-beta-lactamase superfamily protein from Thermus thermophilus HB8.
Proteins, 73, 2008
4CNN
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BU of 4cnn by Molmil
High resolution structure of Salmonella typhi type I dehydroquinase
分子名称: 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, CITRIC ACID, ...
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-23
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase
To be Published
1PBW
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BU of 1pbw by Molmil
STRUCTURE OF BCR-HOMOLOGY (BH) DOMAIN
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE
著者Musacchio, A, Cantley, L.C, Harrison, S.C.
登録日1996-10-17
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the breakpoint cluster region-homology domain from phosphoinositide 3-kinase p85 alpha subunit.
Proc.Natl.Acad.Sci.USA, 93, 1996
7ZHQ
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BU of 7zhq by Molmil
Crystal structure of TTBK1 in complex with compound 10 (7-009)
分子名称: (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-04-06
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
2ZQ3
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BU of 2zq3 by Molmil
The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.6 angstroms resolution
分子名称: Lysozyme C, SODIUM ION
著者Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Hirose, M.
登録日2008-08-03
公開日2008-09-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution
To be Published
7ZHO
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BU of 7zho by Molmil
Crystal structure of TTBK1 in complex with compound 3 (7-001)
分子名称: 1,2-ETHANEDIOL, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol, PHOSPHATE ION, ...
著者Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-04-06
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
7ZJJ
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BU of 7zjj by Molmil
CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379
分子名称: CspZ, NITRATE ION
著者Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023

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件を2024-10-16に公開中

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