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5AH4
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BU of 5ah4 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH2
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BU of 5ah2 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.129 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
4R0I
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BU of 4r0i by Molmil
CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR
分子名称: 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ...
著者Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H.
登録日2014-07-31
公開日2015-02-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach
Bioorg.Med.Chem.Lett., 25, 2015
8R7M
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BU of 8r7m by Molmil
CTX-M14 in complex with boric acid and 1,2-diol boric ester
分子名称: BORIC ACID, Beta-lactamase, GLYCEROL, ...
著者Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C.
登録日2023-11-26
公開日2024-01-17
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
5VP3
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BU of 5vp3 by Molmil
Light-sensitive photoprotein
分子名称: CADMIUM ION, Mnemiopsin 1, NICKEL (II) ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2017-05-04
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Reaction mechanism of the bioluminescent protein mnemiopsin1 revealed by X-ray crystallography and QM/MM simulations.
J. Biol. Chem., 294, 2019
1WD5
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BU of 1wd5 by Molmil
Crystal structure of TT1426 from Thermus thermophilus HB8
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, hypothetical protein TT1426
著者Shibata, R, Kukimoto-Niino, M, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-11
公開日2004-11-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a predicted phosphoribosyltransferase (TT1426) from Thermus thermophilus HB8 at 2.01 A resolution
Protein Sci., 14, 2005
6YYJ
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BU of 6yyj by Molmil
Crystal structure of native Phycocyanin from T. elongatus in spacegroup P21212 at 2.1 Angstroms
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, C-phycocyanin alpha chain, ...
著者Feiler, C.G, Falke, S, Sarrou, I.
登録日2020-05-05
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
3IYD
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BU of 3iyd by Molmil
Three-dimensional EM structure of an intact activator-dependent transcription initiation complex
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator, DNA (98-MER), ...
著者Hudson, B.P, Quispe, J, Lara, S, Kim, Y, Berman, H, Arnold, E, Ebright, R.H, Lawson, C.L.
登録日2009-08-01
公開日2009-11-10
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (19.799999 Å)
主引用文献Three-dimensional EM structure of an intact activator-dependent transcription initiation complex
Proc.Natl.Acad.Sci.USA, 106, 2009
1PLG
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BU of 1plg by Molmil
EVIDENCE FOR THE EXTENDED HELICAL NATURE OF POLYSACCHARIDE EPITOPES. THE 2.8 ANGSTROMS RESOLUTION STRUCTURE AND THERMODYNAMICS OF LIGAND BINDING OF AN ANTIGEN BINDING FRAGMENT SPECIFIC FOR ALPHA-(2->8)-POLYSIALIC ACID
分子名称: IGG2A=KAPPA=
著者Evans, S.V, Sigurskjold, B.W, Jennings, H.J, Brisson, J.-R, Tse, W.C, To, R, Altman, E, Frosch, M, Weisgerber, C, Kratzin, H, Klebert, S, Vaesen, M, Bitter-Suermann, D, Rose, D.R, Young, N.M, Bundle, D.R.
登録日1995-04-24
公開日1996-04-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Evidence for the extended helical nature of polysaccharide epitopes. The 2.8 A resolution structure and thermodynamics of ligand binding of an antigen binding fragment specific for alpha-(2-->8)-polysialic acid.
Biochemistry, 34, 1995
8ARU
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BU of 8aru by Molmil
Crystal Structure of human formylglycine generating enzyme
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Formylglycine-generating enzyme
著者Neumann, P, Dickmanns, A, Ficner, R, Rudolph, M.G.
登録日2022-08-17
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Crystal Structure of human formylglycine generating enzyme E130A mutant
To be published
1YJI
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BU of 1yji by Molmil
RDC-refined Solution NMR structure of reduced putidaredoxin
分子名称: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
著者Jain, N.U, Tjioe, E, Savidor, A, Boulie, J.
登録日2005-01-14
公開日2005-06-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
4RVT
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BU of 4rvt by Molmil
MAP4K4 in complex with a pyridin-2(1H)-one derivative
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4
著者Richters, A, Becker, C, Kleine, S, Rauh, D.
登録日2014-11-27
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
登録日2018-02-23
公開日2018-10-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.76000106 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
3HDK
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BU of 3hdk by Molmil
Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-07
公開日2010-04-28
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
7BCJ
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BU of 7bcj by Molmil
Solution Structure of RoxP
分子名称: Radical Oxygenase of Propionibacterium acnes
著者Stoedkilde, K, Nielsen, J.T, Mulder, F.A.A, Andersen, C.B.F.
登録日2020-12-19
公開日2021-11-24
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Solution Structure of the Cutibacterium acnes -Specific Protein RoxP and Insights Into Its Antioxidant Activity.
Front Cell Infect Microbiol, 12, 2022
7CNE
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BU of 7cne by Molmil
Crystal Structure of Sphingomyelinase C from Streptomyces griseocarneus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SUCCINIC ACID, Sphingomyelinase C
著者Murayama, K, Fujisawa, I, Sugimori, D.
登録日2020-07-31
公開日2020-10-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the high thermal stability and optimum pH of sphingomyelinase C from Streptomyces griseocarneus.
J.Biosci.Bioeng., 131, 2021
3IAW
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BU of 3iaw by Molmil
Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [Gly51;Aib51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.6 A resolution
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [Gly51;Aib51'] 'covalent dimer' HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-07-14
公開日2011-04-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3KA2
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BU of 3ka2 by Molmil
Crystal structure of chemically synthesized 203 amino acid 'covalent dimer' [L-Ala;Gly51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.4 A resolution
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [L-Ala51;Gly51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-10-18
公開日2011-04-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
7TUM
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BU of 7tum by Molmil
Multi-Hit SFX using MHz XFEL sources- first hit
分子名称: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION
著者Darmanin, C, Holmes, S, Abbey, B.
登録日2022-02-03
公開日2022-07-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
7E9L
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BU of 7e9l by Molmil
Crystal Structure of POMGNT2 in complex with UDP and mono-mannosyl peptide (379Man short peptide)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuwabara, N.
登録日2021-03-04
公開日2021-05-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of POMGNT2 provides new insights into the mechanism to determine the functional O-mannosylation site on alpha-dystroglycan.
Genes Cells, 26, 2021
7E9J
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BU of 7e9j by Molmil
Crystal Structure of POMGNT2 in complex with UDP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ...
著者Kuwabara, N.
登録日2021-03-04
公開日2021-05-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of POMGNT2 provides new insights into the mechanism to determine the functional O-mannosylation site on alpha-dystroglycan.
Genes Cells, 26, 2021
7E9K
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BU of 7e9k by Molmil
Crystal Structure of POMGNT2 in complex with UDP and mono-mannosyl peptide (379Man long peptide)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuwabara, N.
登録日2021-03-04
公開日2021-05-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The structure of POMGNT2 provides new insights into the mechanism to determine the functional O-mannosylation site on alpha-dystroglycan.
Genes Cells, 26, 2021
3HLO
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BU of 3hlo by Molmil
Crystal structure of chemically synthesized 'covalent dimer' [Gly51/D-Ala51']HIV-1 protease
分子名称: 'covalent dimer' [Gly51/D-Ala51'] HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-27
公開日2011-07-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4CVH
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BU of 4cvh by Molmil
Crystal structure of human isoprenoid synthase domain-containing protein
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, ISOPRENOID SYNTHASE DOMAIN-CONTAINING PROTEIN, ...
著者Kopec, J, Froese, D.S, Krojer, T, Newman, J, Kiyani, W, Goubin, S, Strain-Damerell, C, Vollmar, M, von Delft, F, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Lefeber, D.J, Yue, W.W.
登録日2014-03-27
公開日2015-02-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Human Ispd is a Cytidyltransferase Required for Dystroglycan O-Mannosylation.
Chem.Biol., 22, 2015
3SOA
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BU of 3soa by Molmil
Full-length human CaMKII
分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Calcium/calmodulin-dependent protein kinase type II subunit alpha with a beta 7 linker
著者Chao, L.H, Kuriyan, J.
登録日2011-06-30
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5501 Å)
主引用文献A Mechanism for Tunable Autoinhibition in the Structure of a Human Ca(2+)/Calmodulin- Dependent Kinase II Holoenzyme.
Cell(Cambridge,Mass.), 146, 2011

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