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6XVG
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Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2020-01-22
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
8G8O
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BU of 8g8o by Molmil
The crystal structure of JAK2 in complex with Compound 31
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Tyrosine-protein kinase JAK2, ...
著者Miller, S.T, Ellis, D.A.
登録日2023-02-18
公開日2023-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.
J.Med.Chem., 66, 2023
6XSG
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Crystal structure of Staphylococcal nuclease variant Delta+PHS V66T at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B, Sorenson, J.L.
登録日2020-07-15
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS V66T at cryogenic temperature
To be Published
2AQ9
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BU of 2aq9 by Molmil
Structure of E. coli LpxA with a bound peptide that is competitive with acyl-ACP
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Williams, A.H, Immormino, R.M, Gewirth, D.T, Raetz, C.R.
登録日2005-08-17
公開日2006-06-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of UDP-N-acetylglucosamine acyltransferase with a bound antibacterial pentadecapeptide.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8GR3
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BU of 8gr3 by Molmil
Crystal structure of K151L/Y158F mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A, SULFATE ION
著者Chandrashekarmath, A, Bellur, A.
登録日2022-08-31
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of K151L/Y158F mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
1JAL
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BU of 1jal by Molmil
YCHF PROTEIN (HI0393)
分子名称: YchF protein
著者Teplyakov, A, Gilliland, G.L, Structure 2 Function Project (S2F)
登録日2001-05-30
公開日2003-03-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the YchF protein reveals binding sites for GTP and nucleic acid
J.BACTERIOL., 185, 2003
6XW4
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BU of 6xw4 by Molmil
Crystal structure of murine norovirus P domain in complex with Nanobody NB-5867
分子名称: 1,2-ETHANEDIOL, Capsid protein, Nanobody NB-5867
著者Kilic, T, Sabin, C, Hansman, G.
登録日2020-01-23
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus.
J.Virol., 94, 2020
8GR6
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BU of 8gr6 by Molmil
Crystal Structure of pilus-specific Sortase C from Streptococcus sanguinis
分子名称: 1,2-ETHANEDIOL, SODIUM ION, Sortase-like protein, ...
著者Yadav, S, Parijat, P, Krishnan, V.
登録日2022-09-01
公開日2023-06-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of the pilus-specific sortase from early colonizing oral Streptococcus sanguinis captures an active open-lid conformation.
Int.J.Biol.Macromol., 243, 2023
8GCL
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BU of 8gcl by Molmil
Cryo-EM structure of hAQP2 in DDM
分子名称: Aquaporin-2
著者Kamegawa, A, Suzuki, S, Nishikawa, K, Numoto, N, Suzuki, H, Fujiyoshi, Y.
登録日2023-03-02
公開日2023-06-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structural analysis of the water channel AQP2 by single-particle cryo-EM.
J.Struct.Biol., 215, 2023
6B4A
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BU of 6b4a by Molmil
Crystal structure of the C-Terminal Domain of Doublecortin (TgDCX) from Toxoplasma gondii ME49
分子名称: Doublecortin, FORMIC ACID
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-09-26
公開日2017-10-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A doublecortin-domain protein of Toxoplasma and its orthologues bind to and modify the structure and organization of tubulin polymers.
Bmc Mol Cell Biol, 21, 2020
8G8X
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BU of 8g8x by Molmil
X-ray co-crystal structure of compound 27 in with complex JAK2
分子名称: 3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol, Tyrosine-protein kinase JAK2
著者Miller, S.T, Ellis, D.A.
登録日2023-02-20
公開日2023-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility.
J.Med.Chem., 66, 2023
8GCB
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BU of 8gcb by Molmil
Structure of RNF125 in complex with a UbcH5b~Ub conjugate
分子名称: E3 ubiquitin-protein ligase RNF125, Ubiquitin-conjugating enzyme E2 D2, ZINC ION
著者Middleton, A.J, Day, C.L, Fokkens, T.J.
登録日2023-03-01
公開日2023-07-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Zinc finger 1 of the RING E3 ligase, RNF125, interacts with the E2 to enhance ubiquitylation.
Structure, 31, 2023
8GUV
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BU of 8guv by Molmil
LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7)
分子名称: CALCIUM ION, PA-I galactophilic lectin, Tolcapone
著者Kuhaudomlarp, S, Siebs, E, Varrot, A, Imberty, A, Titz, A.
登録日2022-09-13
公開日2023-07-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7)
To Be Published
8GUU
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BU of 8guu by Molmil
Crystal structure of pilus-specific sortase C mutant from Streptococcus sanguinis
分子名称: 1,2-ETHANEDIOL, Sortase-like protein, putative
著者Yadav, S, Parijat, P.
登録日2022-09-13
公開日2023-06-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献Crystal structure of the pilus-specific sortase from early colonizing oral Streptococcus sanguinis captures an active open-lid conformation.
Int.J.Biol.Macromol., 243, 2023
8GR1
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BU of 8gr1 by Molmil
Crystal structure of D110V/K151L mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
分子名称: GMP synthase [glutamine-hydrolyzing] subunit A, SULFATE ION
著者Chandrashekarmath, A, Bellur, A.
登録日2022-08-31
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of D110V/K151L mutant of GATase subunit of Methanocaldococcus jannaschii GMP synthetase
To Be Published
1JLT
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BU of 1jlt by Molmil
Vipoxin Complex
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHOLIPASE A2, ...
著者Banumathi, S, Rajashankar, K.R, Notzel, C, Aleksiev, B, Singh, T.P, Genov, N, Betzel, C.
登録日2001-07-16
公開日2001-10-31
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the neurotoxic complex vipoxin at 1.4 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
1JKY
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BU of 1jky by Molmil
Crystal Structure of the Anthrax Lethal Factor (LF): Wild-type LF Complexed with the N-terminal Sequence of MAPKK2
分子名称: Lethal Factor, mitogen-activated protein kinase kinase 2
著者Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C.
登録日2001-07-13
公開日2001-11-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
6XYB
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BU of 6xyb by Molmil
Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi
分子名称: CHLORIDE ION, IODIDE ION, MAGNESIUM ION, ...
著者Roske, Y, Heinemann, U.
登録日2020-01-30
公開日2020-06-10
最終更新日2020-07-15
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
6XOF
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BU of 6xof by Molmil
Crystal structure of SCLam, a non-specific endo-beta-1,3(4)-glucanase from family GH16
分子名称: CALCIUM ION, GH16 family protein, GLYCEROL
著者Liberato, M.V, Bernardes, A, Polikarpov, I, Squina, F.
登録日2020-07-07
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQM
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BU of 6xqm by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with laminarihexaose, presenting a laminaribiose and a glucose at active site
分子名称: CALCIUM ION, GH16 family protein, PHOSPHATE ION, ...
著者Liberato, M.V, Squina, F.
登録日2020-07-09
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQH
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BU of 6xqh by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with cellotriose, presenting a 1,3-beta-D-cellobiosyl-glucose and a cellobiose at active site
分子名称: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Liberato, M.V, Squina, F.
登録日2020-07-09
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQG
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BU of 6xqg by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellobiosyl-cellobiose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site
分子名称: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
著者Liberato, M.V, Squina, F.
登録日2020-07-09
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
1JUC
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BU of 1juc by Molmil
Crystal Structure Analysis of a Holliday Junction Formed by CCGGTACCGG
分子名称: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3'
著者Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Cardin, C.J.
登録日2001-08-24
公開日2002-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural characterization of a new crystal form of the four-way Holliday junction formed by the DNA sequence d(CCGGTACCGG)2: sequence versus lattice?
Acta Crystallogr.,Sect.D, 58, 2002
2AYH
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BU of 2ayh by Molmil
CRYSTAL AND MOLECULAR STRUCTURE AT 1.6 ANGSTROMS RESOLUTION OF THE HYBRID BACILLUS ENDO-1,3-1,4-BETA-D-GLUCAN 4-GLUCANOHYDROLASE H(A16-M)
分子名称: 1,3-1,4-BETA-D-GLUCAN 4-GLUCANOHYDROLASE, CALCIUM ION
著者Hahn, M, Keitel, T, Heinemann, U.
登録日1995-02-02
公開日1995-03-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal and molecular structure at 0.16-nm resolution of the hybrid Bacillus endo-1,3-1,4-beta-D-glucan 4-glucanohydrolase H(A16-M).
Eur.J.Biochem., 232, 1995
1KW6
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Crystal structure of 2,3-dihydroxybiphenyl dioxygenase (BphC) in complex with 2,3-dihydroxybiphenyl at 1.45 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3-Dihydroxybiphenyl dioxygenase, BIPHENYL-2,3-DIOL, ...
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

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