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8GJW
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BU of 8gjw by Molmil
Structure of a cGAS-like receptor Cv-cGLR1 from C. virginica
分子名称: SULFATE ION, cGAS-like receptor 1
著者Li, Y, Morehouse, B.R, Slavik, K.M, Liu, J, Toyoda, H, Kranzusch, P.J.
登録日2023-03-16
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
8GJX
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BU of 8gjx by Molmil
Structure of the human STING receptor bound to 2'3'-cUA
分子名称: 2'3'-cUA, Stimulator of interferon genes protein
著者Morehouse, B.R, Li, Y, Slavik, K.M, Toyoda, H, Kranzusch, P.J.
登録日2023-03-16
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
8GJZ
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BU of 8gjz by Molmil
Structure of a STING receptor from S. pistillata Sp-STING1 bound to 2'3'-cUA
分子名称: 2'3'-cUA, Stimulator of interferon genes protein
著者Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J.
登録日2023-03-16
公開日2023-07-05
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
6M4B
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BU of 6m4b by Molmil
1510-N membrane-bound stomatin-specific protease S97A mutant
分子名称: Membrane-bound protease PH1510, SULFATE ION
著者Yokoyama, H, Suzuki, K.
登録日2020-03-06
公開日2020-06-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Inactive dimeric structure of the protease domain of stomatin operon partner protein.
Acta Crystallogr.,Sect.D, 76, 2020
4YHD
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BU of 4yhd by Molmil
Staphylococcal alpha-hemolysin H35A mutant monomer
分子名称: Alpha-hemolysin, CHLORIDE ION
著者Sugawara, T, Kato, K, Tanaka, Y, Yao, M.
登録日2015-02-27
公開日2015-10-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for pore-forming mechanism of staphylococcal alpha-hemolysin
Toxicon, 108, 2015
3VIV
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BU of 3viv by Molmil
1510-N membrane-bound stomatin-specific protease K138A mutant in complex with a substrate peptide
分子名称: 441aa long hypothetical nfeD protein, CHLORIDE ION, GLYCEROL, ...
著者Yokoyama, H, Matsui, I, Fujii, S.
登録日2011-10-12
公開日2012-05-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of a membrane stomatin-specific protease in complex with a substrate Peptide
Biochemistry, 51, 2012
6VM5
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BU of 6vm5 by Molmil
Structure of Moraxella osloensis Cap4 SAVED/CARF-domain containing receptor
分子名称: MAGNESIUM ION, SAVED domain-containing protein
著者Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
登録日2020-01-27
公開日2020-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
5G0R
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BU of 5g0r by Molmil
METHYL-COENZYME M REDUCTASE I FROM METHANOTHERMOBACTER MARBURGENSIS EXPOSED TO 3-NITROOXYPROPANOL
分子名称: CHLORIDE ION, Coenzyme B, FACTOR 430, ...
著者Wagner, T.
登録日2016-03-22
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mode of Action Uncovered for the Specific Reduction of Methane Emissions from Ruminants by the Small Molecule 3-Nitrooxypropanol.
Proc.Natl.Acad.Sci.USA, 113, 2016
6WAN
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BU of 6wan by Molmil
Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 3'3'3'-cAAA
分子名称: Cyclic RNA (R(P*AP*AP*A), SAVED domain-containing protein, SULFATE ION
著者Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
登録日2020-03-25
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
6WAM
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BU of 6wam by Molmil
Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor
分子名称: SAVED domain-containing protein, SULFATE ION
著者Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
登録日2020-03-25
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
6VM6
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BU of 6vm6 by Molmil
Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 2'3'3'-cAAA
分子名称: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3'), SAVED domain-containing protein, SULFATE ION
著者Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
登録日2020-01-27
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
4KL1
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BU of 4kl1 by Molmil
HCN4 CNBD in complex with cGMP
分子名称: ACETATE ION, CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, ...
著者Lolicato, M, Arrigoni, C, Zucca, S, Nardini, M, Bucchi, A, Schroeder, I, Simmons, K, Bolognesi, M, DiFrancesco, D, Schwede, F, Fishwick, C.W.G, Johnson, A.P.K, Thiel, G, Moroni, A.
登録日2013-05-07
公開日2014-04-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyclic dinucleotides bind the C-linker of HCN4 to control channel cAMP responsiveness.
Nat.Chem.Biol., 10, 2014
3U0T
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BU of 3u0t by Molmil
Fab-antibody complex
分子名称: Amyloid beta A4 protein, ponezumab HC Fab, ponezumab LC Fab
著者LaPorte, S.L, Pons, J.P.
登録日2011-09-29
公開日2012-01-11
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of C-terminal beta-Amyloid Peptide Binding by the Antibody Ponezumab for the Treatment of Alzheimer's Disease
J.Mol.Biol., 421, 2012
6HHQ
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BU of 6hhq by Molmil
Crystal structure of compound C45 bound to the yeast 80S ribosome
分子名称: (3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione, 18S ribosomal RNA, 25S ribosomal RNA, ...
著者Pellegrino, S, Vanderwal, C.D, Yusupov, M.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.10000038 Å)
主引用文献Understanding the role of intermolecular interactions between lissoclimides and the eukaryotic ribosome.
Nucleic Acids Res., 47, 2019
8SK5
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BU of 8sk5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH
著者Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y.
登録日2023-04-18
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
6BTP
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BU of 6btp by Molmil
BMP1 complexed with a hydroxamate
分子名称: (1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide, Bone morphogenetic protein 1, THIOCYANATE ION, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-07
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BTQ
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BU of 6btq by Molmil
BMP1 complexed with a hydroxamate - compound 2
分子名称: 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-D-alaninamide, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-07
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BSL
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BU of 6bsl by Molmil
BMP1 complexed with a reverse hydroxymate - compound 22
分子名称: 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-04
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BSM
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BU of 6bsm by Molmil
BMP1 complexed with a reverse hydroxamate - compound 4
分子名称: Bone morphogenetic protein 1, N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide, ZINC ION
著者Gampe, R, Shewchuk, L.
登録日2017-12-04
公開日2018-08-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BTO
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BU of 6bto by Molmil
BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid
分子名称: (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-07
公開日2018-08-08
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
6BTN
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BU of 6btn by Molmil
BMP1 complexed with a reverse hydroxymate - compound 1
分子名称: (3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ...
著者Gampe, R, Shewchuk, L.
登録日2017-12-07
公開日2018-08-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
4QL8
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BU of 4ql8 by Molmil
Crystal structure of Androgen Receptor in complex with the ligand
分子名称: 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor
著者Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S.
登録日2014-06-11
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration
J.Med.Chem., 57, 2014
3TZN
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BU of 3tzn by Molmil
Crystal Structure of the Yersinia pestis Dihydropteroate synthase.
分子名称: 7,8-dihydropteroate synthase
著者Wu, Y.
登録日2011-09-27
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.083 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
5V9U
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BU of 5v9u by Molmil
Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
分子名称: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y.
登録日2017-03-23
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
4NHV
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BU of 4nhv by Molmil
Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
分子名称: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, Dihydropteroate synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-05
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014

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