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4K6T
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Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385
分子名称: 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, ACETATE ION, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
3OEY
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Crystal structure of InhA_T266E:NADH complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L.
登録日2010-08-13
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis.
Mol.Microbiol., 78, 2010
1UO6
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PORCINE PANCREATIC ELASTASE/Xe-COMPLEX
分子名称: CHLORIDE ION, ELASTASE 1, GLYCEROL, ...
著者Mueller-Dieckmann, C, Polentarutti, M, Djinovic-Carugo, K, Panjikar, S, Tucker, P.A, Weiss, M.S.
登録日2003-09-16
公開日2003-10-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part II. Data-Collection Wavelength and Scaling Models
Acta Crystallogr.,Sect.D, 60, 2004
3OEW
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BU of 3oew by Molmil
Crystal structure of wild-type InhA:NADH complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L.
登録日2010-08-13
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis.
Mol.Microbiol., 78, 2010
3OTS
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BU of 3ots by Molmil
MDR769 HIV-1 protease complexed with MA/CA hepta-peptide
分子名称: MA/CA substrate peptide, Multi-drug resistant HIV-1 protease
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-13
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OTY
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BU of 3oty by Molmil
MDR769 HIV-1 protease complexed with RT/RH hepta-peptide
分子名称: MDR HIV-1 protease, RT/RH substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OUA
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MDR769 HIV-1 protease complexed with p1/p6 hepta-peptide
分子名称: HIV-1 protease, p1/p6 substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3P2B
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BU of 3p2b by Molmil
Crystal Structure of PI3K gamma with 3-(2-morpholino-6-(pyridin-3-ylamino)pyrimidin-4-yl)phenol
分子名称: 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knapp, M.S, Elling, R.A, Ornelas, E.
登録日2010-10-01
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Identification and structure-activity relationship of 2-morpholino 6-(3-hydroxyphenyl) pyrimidines, a class of potent and selective PI3 kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4K6W
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BU of 4k6w by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0408
分子名称: 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ...
著者Stehle, T, Bauer, J.
登録日2013-04-16
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
2F7A
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BU of 2f7a by Molmil
BenM effector binding domain with its effector, cis,cis-muconate
分子名称: (2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID, ACETATE ION, BENZOIC ACID, ...
著者Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C.
登録日2005-11-30
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator.
J.Mol.Biol., 367, 2007
1CE1
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BU of 1ce1 by Molmil
1.9A STRUCTURE OF THE THERAPEUTIC ANTIBODY CAMPATH-1H FAB IN COMPLEX WITH A SYNTHETIC PEPTIDE ANTIGEN
分子名称: PROTEIN (CAMPATH-1H:HEAVY CHAIN), PROTEIN (CAMPATH-1H:LIGHT CHAIN), PROTEIN (PEPTIDE ANTIGEN)
著者James, L.C, Hale, G, Waldmann, H, Bloomer, A.C.
登録日1999-03-12
公開日1999-06-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 A structure of the therapeutic antibody CAMPATH-1H fab in complex with a synthetic peptide antigen.
J.Mol.Biol., 289, 1999
1SUF
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BU of 1suf by Molmil
Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans-Inactive state
分子名称: Carbon Monoxide Dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
4KZ0
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BU of 4kz0 by Molmil
Structure of PI3K gamma with Imidazopyridine inhibitors
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate
著者Knapp, M.S, Elling, R.A.
登録日2013-05-29
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
4KZC
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BU of 4kzc by Molmil
Structure of PI3K gamma with Imidazopyridine inhibitors
分子名称: N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Knapp, M.S, Elling, E.A.
登録日2013-05-29
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
2F6G
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BU of 2f6g by Molmil
BenM effector binding domain
分子名称: CHLORIDE ION, HTH-type transcriptional regulator benM, SULFATE ION
著者Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C.
登録日2005-11-29
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.908 Å)
主引用文献Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator.
J.Mol.Biol., 367, 2007
1SU6
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BU of 1su6 by Molmil
Carbon monoxide dehydrogenase from Carboxydothermus hydrogenoformans: CO reduced state
分子名称: Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Dobbek, H, Svetlitchnyi, V, Liss, J, Meyer, O.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Carbon Monoxide Induced Decomposition of the Active Site [Ni-4Fe-5S] Cluster of CO Dehydrogenase
J.Am.Chem.Soc., 126, 2004
2F6P
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BU of 2f6p by Molmil
BenM effector binding domain- SeMet derivative
分子名称: ACETATE ION, HTH-type transcriptional regulator benM, SODIUM ION, ...
著者Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C.
登録日2005-11-29
公開日2006-10-31
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator.
J.Mol.Biol., 367, 2007
6LHO
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BU of 6lho by Molmil
The cryo-EM structure of coxsackievirus A16 empty particle in complex with Fab 18A7
分子名称: VP1 protein, VP2 protein, VP3 protein
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHK
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BU of 6lhk by Molmil
The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 18A7
分子名称: SPHINGOSINE, VP1 protein, VP2 protein, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LJB
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BU of 6ljb by Molmil
Crystal Structure of ASFV pS273R protease
分子名称: Cysteine protease S273R
著者Li, G.B, Liu, X.X, Chen, C, Guo, Y.
登録日2019-12-13
公開日2020-02-26
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
4E1A
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BU of 4e1a by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis at 1.62A resolution
分子名称: GLYCEROL, Phosphopantetheine adenylyltransferase
著者Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P.
登録日2012-03-06
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献X-ray study of the conformational changes in the molecule of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis during the catalyzed reaction.
Acta Crystallogr.,Sect.D, 68, 2012
6ZWW
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BU of 6zww by Molmil
Crystal structure of E. coli RNA helicase HrpA in complex with RNA
分子名称: ATP-dependent RNA helicase HrpA, CALCIUM ION, ssRNA
著者Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C.
登録日2020-07-29
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZWX
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Crystal structure of E. coli RNA helicase HrpA
分子名称: ATP-dependent RNA helicase HrpA
著者Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C.
登録日2020-07-29
公開日2021-06-30
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
6LHA
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BU of 6lha by Molmil
The cryo-EM structure of coxsackievirus A16 mature virion
分子名称: SPHINGOSINE, VP1 protein, VP2 protein, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-07
公開日2020-02-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
6LHQ
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The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab NA9D7
分子名称: SPHINGOSINE, VP1 protein, VP2 protein, ...
著者He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
登録日2019-12-09
公開日2020-02-05
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020

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