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6ZR5
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Crystal structure of JNK1 in complex with ATF2(19-58)
分子名称: Cyclic AMP-dependent transcription factor ATF-2, MAGNESIUM ION, Mitogen-activated protein kinase 8, ...
著者Kirsch, K, Zeke, A, Remenyi, A.
登録日2020-07-10
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38.
Nat Commun, 11, 2020
1KW3
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BU of 1kw3 by Molmil
Crystal structure of 2,3-dihydroxybiphenyal dioxygenase (BphC) at 1.45 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3-Dihydroxybiphenyl dioxygenase, FE (II) ION
著者Sato, N, Uragami, Y, Nishizaki, T, Takahashi, Y, Sazaki, G, Sugimoto, K, Nonaka, T, Masai, E, Fukuda, M, Senda, T.
登録日2002-01-28
公開日2003-01-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structures of the Reaction Intermediate and its Homologue of an Extradiol-cleaving Catecholic Dioxygenase
J.Mol.Biol., 321, 2002
8GU7
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BU of 8gu7 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin 1-associated autophagy-related key regulator, Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-11
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8GT9
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BU of 8gt9 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-07
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
4Z5D
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BU of 4z5d by Molmil
HipB-O4 21mer complex
分子名称: Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3')
著者Min, J, Brennan, R.G, Schumacher, M.A.
登録日2015-04-02
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular mechanism on hipBA gene regulation.
To be published
8G2R
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BU of 8g2r by Molmil
CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH AVIBACTAM
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC
著者Alsenani, T, van den Akker, F.
登録日2023-02-06
公開日2023-08-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Antimicrob.Agents Chemother., 67, 2023
8G2T
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BU of 8g2t by Molmil
CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH RELEBACTAM (IMINE HYDROLYSIS INTERMEDIATE)
分子名称: (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION
著者Alsenani, T, van den Akker, F.
登録日2023-02-06
公開日2023-08-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Antimicrob.Agents Chemother., 67, 2023
1KMT
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BU of 1kmt by Molmil
Crystal structure of RhoGDI Glu(154,155)Ala mutant
分子名称: Rho GDP-dissociation inhibitor 1
著者Mateja, A, Devedjiev, Y, Krowarsh, D, Longenecker, K, Dauter, Z, Otlewski, J, Derewenda, Z.S.
登録日2001-12-17
公開日2002-12-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The impact of Glu-->Ala and Glu-->Asp mutations on the crystallization properties of RhoGDI: the structure of RhoGDI at 1.3 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
1KHQ
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BU of 1khq by Molmil
ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX
分子名称: Papain, peptidic inhibitor
著者Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M.
登録日2001-11-30
公開日2003-09-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor
J.Pept.Res., 64, 2004
2E8T
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BU of 2e8t by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, FsPP and IPP
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ...
著者Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
登録日2007-01-23
公開日2007-06-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
1KO4
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BU of 1ko4 by Molmil
Crystal structure of gluconate kinase
分子名称: CHLORIDE ION, Gluconate kinase
著者Kraft, L, Sprenger, G.A, Lindqvist, Y.
登録日2001-12-20
公開日2002-05-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational changes during the catalytic cycle of gluconate kinase as revealed by X-ray crystallography.
J.Mol.Biol., 318, 2002
6XFO
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BU of 6xfo by Molmil
Orthorhombic crystal form of Striga hermonthica Dwarf14 (ShD14)
分子名称: ACETATE ION, D14, MAGNESIUM ION
著者Hamiaux, C, Snowden, K.C.
登録日2020-06-15
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献To be published
To Be Published
6XG3
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BU of 6xg3 by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, at room temperature
分子名称: CHLORIDE ION, Non-structural protein 3, PHOSPHATE ION, ...
著者Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-16
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6XNP
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BU of 6xnp by Molmil
Crystal Structure of Human STING CTD complex with SR-717
分子名称: 1,2-ETHANEDIOL, 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, GLYCEROL, ...
著者Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
登録日2020-07-03
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
8GBU
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BU of 8gbu by Molmil
Hepatitis B capsid Y132A mutant with compound AB-506
分子名称: (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate, 1,2-ETHANEDIOL, Capsid protein
著者Horanyi, P.S, Mayclin, S.J.
登録日2023-02-28
公開日2023-09-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506.
Bioorg.Med.Chem.Lett., 94, 2023
8GRJ
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BU of 8grj by Molmil
Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone
分子名称: D-glucono-1,5-lactone, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yoshida, H, Kojima, K, Tsugawa, W, Okuda-Shimazaki, J, Kerrigan, J.A, Sode, K.
登録日2022-09-01
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone
To Be Published
8GJA
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BU of 8gja by Molmil
RAD51C-XRCC3 structure
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, RAD51C, ...
著者Arvai, A.S, Tainer, J.A, Williams, G, Longo, M.A.
登録日2023-03-15
公開日2023-08-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
1K3I
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BU of 1k3i by Molmil
Crystal Structure of the Precursor of Galactose Oxidase
分子名称: ACETATE ION, CALCIUM ION, Galactose Oxidase Precursor, ...
著者Firbank, S.J, Rogers, M.S, Wilmot, C.M, Dooley, D.M, Halcrow, M.A, Knowles, P.F, McPherson, M.J, Phillips, S.E.V.
登録日2001-10-03
公開日2001-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the precursor of galactose oxidase: an unusual self-processing enzyme.
Proc.Natl.Acad.Sci.USA, 98, 2001
6YZX
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BU of 6yzx by Molmil
Carborane nido-hexyl-sulfonamide in complex with CA II
分子名称: Carbonic anhydrase 2, Carborane nido-hexyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-05-07
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
6Z54
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BU of 6z54 by Molmil
Crystal structure of CLK3 in complex with macrocycle ODS2003178
分子名称: 1,2-ETHANEDIOL, 11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of CLK3 in complex with macrocycle ODS2003178
To Be Published
6Z57
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Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078
To Be Published
6YUC
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Crystal structure of Uba4-Urm1 from Chaetomium thermophilum
分子名称: Adenylyltransferase and sulfurtransferase uba4, Ubiquitin-related modifier 1, ZINC ION
著者Grudnik, P, Pabis, M, Ethiraju Ravichandran, K, Glatt, S.
登録日2020-04-26
公開日2020-07-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Molecular basis for the bifunctional Uba4-Urm1 sulfur-relay system in tRNA thiolation and ubiquitin-like conjugation.
Embo J., 39, 2020
6YUX
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BU of 6yux by Molmil
Crystal structure of Malus domestica Double Bond Reductase (MdDBR) ternary complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
著者Caliandro, R, Polsinelli, I, Demitri, N, Benini, S.
登録日2020-04-27
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates.
Int.J.Biol.Macromol., 171, 2021
8GJ8
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BU of 8gj8 by Molmil
RAD51C C-terminal domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C
著者Arvai, A.S, Tainer, J.A, Williams, G.
登録日2023-03-15
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
1K50
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A V49A Mutation Induces 3D Domain Swapping in the B1 Domain of Protein L from Peptostreptococcus magnus
分子名称: Protein L
著者O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J.
登録日2001-10-09
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001

224004

件を2024-08-21に公開中

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