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3I09
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BU of 3i09 by Molmil
CRYSTAL STRUCTURE OF A PERIPLASMIC BINDING PROTEIN (BMA2936) FROM BURKHOLDERIA MALLEI AT 1.80 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, ACETOACETIC ACID, CITRIC ACID, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-06-24
公開日2009-07-21
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Periplasmic Binding Protein BMA293 (YP_104442.1) from Burkholderia mallei ATCC 23344 at 1.80 A resolution
To be published
2YYL
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BU of 2yyl by Molmil
Crystal structure of the mutant of HpaB (T198I, A276G, and R466H) complexed with FAD
分子名称: 4-hydroxyphenylacetate-3-hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K.
登録日2007-04-30
公開日2007-09-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
7ME0
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BU of 7me0 by Molmil
Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 6.0
分子名称: Uridylate-specific endoribonuclease
著者Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G.
登録日2021-04-06
公開日2021-04-14
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
2FNP
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BU of 2fnp by Molmil
Crystal structure of SarA
分子名称: Staphylococcal accessory regulator A
著者Liu, Y, Manna, A.C, Pan, C.H, Cheung, A.L, Zhang, G.
登録日2006-01-11
公開日2006-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and function analyses of the global regulatory protein SarA from Staphylococcus aureus.
Proc.Natl.Acad.Sci.Usa, 103, 2006
7M6B
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BU of 7m6b by Molmil
The Crystal Structure of Mcbe1
分子名称: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ...
著者Alahuhta, P.M, Lunin, V.V.
登録日2021-03-25
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Target highlights in CASP14: Analysis of models by structure providers.
Proteins, 89, 2021
5MQI
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BU of 5mqi by Molmil
Crystal structure of the N-terminal domain of human Timeless
分子名称: Protein timeless homolog,Protein timeless homolog, SULFATE ION
著者Holzer, S, Kilkenny, M.L, Pellegrini, L.
登録日2016-12-20
公開日2017-03-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Crystal structure of the N-terminal domain of human Timeless and its interaction with Tipin.
Nucleic Acids Res., 45, 2017
5MU2
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BU of 5mu2 by Molmil
ACC1 Fab fragment in complex with CII583-591 (CG10)
分子名称: ACC1 Fab fragment heavy chain, ACC1 Fab fragment light chain, synthetic peptide containing the CII583-591 epitope of collagen type II
著者Dobritzsch, D, Holmdahl, R, Ge, C.
登録日2017-01-12
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
2PHH
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BU of 2phh by Molmil
THE COENZYME ANALOGUE ADENOSINE 5-DIPHOSPHORIBOSE DISPLACES FAD IN THE ACTIVE SITE OF P-HYDROXYBENZOATE HYDROXYLASE. AN X-RAY CRYSTALLOGRAPHIC INVESTIGATION
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Van Derlaan, J.M, Drenth, J, Hol, W.G.J.
登録日1989-06-19
公開日1990-10-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The coenzyme analogue adenosine 5-diphosphoribose displaces FAD in the active site of p-hydroxybenzoate hydroxylase. An x-ray crystallographic investigation.
Biochemistry, 28, 1989
5MWF
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BU of 5mwf by Molmil
Human Jagged2 C2-EGF2
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, CALCIUM ION, CHLORIDE ION, ...
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
7MFO
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BU of 7mfo by Molmil
X-ray structure of the L136 Aminotransferase from Acanthamoeba polyphaga mimivirus in the presence of TDP and PMP
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CHLORIDE ION, ...
著者Ferek, J.D, Thoden, J.B, Holden, H.M.
登録日2021-04-10
公開日2021-04-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
2PHZ
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BU of 2phz by Molmil
Crystal structure of Iron-uptake system-binding protein FeuA from Bacillus subtilis. Northeast Structural Genomics target SR580.
分子名称: Iron-uptake system-binding protein
著者Benach, J, Neely, H, Seetharaman, J, Chen, C.X, Cunningham, K, Ma, L.-C, Janjua, H, Xiao, R, Baran, M, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-04-12
公開日2007-04-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of Iron-uptake system-binding protein FeuA from Bacillus subtilis.
To be Published
5MXC
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BU of 5mxc by Molmil
Aleuria aurantia lectin (AAL) N224Q mutant in complex with alpha-methyl-L-fucoside
分子名称: Fucose-specific lectin, GLYCEROL, methyl alpha-L-fucopyranoside
著者Houser, J, Kozmon, S, Romano, P.R, Wimmerova, M.
登録日2017-01-22
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL.
PLoS ONE, 12, 2017
3I39
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BU of 3i39 by Molmil
NI,FE-CODH-320 MV+CN state
分子名称: CYANIDE ION, Carbon monoxide dehydrogenase 2, FE (II) ION, ...
著者Jeoung, J.-H, Dobbek, H.
登録日2009-06-30
公開日2009-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural basis of cyanide inhibition of Ni, Fe-containing carbon monoxide dehydrogenase
J.Am.Chem.Soc., 131, 2009
7GE0
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BU of 7ge0 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-6af13d92-2 (Mpro-x11276)
分子名称: 3C-like proteinase, 5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GE2
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BU of 7ge2 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-6af13d92-1 (Mpro-x11313)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
5MKF
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BU of 5mkf by Molmil
cryoEM Structure of Polycystin-2 in complex with calcium and lipids
分子名称: 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 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Wilkes, M, Madej, M.G, Ziegler, C.
登録日2016-12-04
公開日2017-01-18
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Molecular insights into lipid-assisted Ca(2+) regulation of the TRP channel Polycystin-2.
Nat. Struct. Mol. Biol., 24, 2017
2Y9J
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BU of 2y9j by Molmil
THREE-DIMENSIONAL MODEL OF SALMONELLA'S NEEDLE COMPLEX AT SUBNANOMETER RESOLUTION
分子名称: LIPOPROTEIN PRGK, PROTEIN PRGH
著者Schraidt, O, Marlovits, T.C.
登録日2011-02-15
公開日2011-03-23
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Three-Dimensional Model of Salmonella'S Needle Complex at Subnanometer Resolution.
Science, 331, 2011
2G3N
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BU of 2g3n by Molmil
Crystal structure of the Sulfolobus solfataricus alpha-glucosidase MalA in complex with beta-octyl-glucopyranoside
分子名称: Alpha-glucosidase, octyl beta-D-glucopyranoside
著者Ernst, H.A, Lo Leggio, L, Willemoes, M, Leonard, G, Blum, P, Larsen, S.
登録日2006-02-20
公開日2006-05-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of the Sulfolobus solfataricus alpha-Glucosidase: Implications for Domain Conservation and Substrate Recognition in GH31.
J.Mol.Biol., 358, 2006
3I5J
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BU of 3i5j by Molmil
Diferric Resting State Toluene 4-Monooxygenase HD complex
分子名称: FE (III) ION, Toluene-4-monooxygenase system protein A, Toluene-4-monooxygenase system protein B, ...
著者Bailey, L.J, Fox, B.G.
登録日2009-07-05
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and catalytic studies of the peroxide-shunt reaction in a diiron hydroxylase.
Biochemistry, 48, 2009
5MTT
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BU of 5mtt by Molmil
Maltodextrin binding protein MalE1 from L. casei BL23 bound to maltotetraose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MalE1, ...
著者Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E.
登録日2017-01-10
公開日2017-07-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
3HS9
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BU of 3hs9 by Molmil
Intersectin 1-peptide-AP2 beta ear complex
分子名称: AP-2 complex subunit beta-1, peptide from Intersectin-1, residues 841-851
著者Vahedi-Faridi, A, Pechstein, A, Schaefer, J.G, Saenger, W, Haucke, V.
登録日2009-06-10
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Regulation of synaptic vesicle recycling by complex formation between intersectin 1 and the clathrin adaptor complex AP2.
Proc.Natl.Acad.Sci.USA, 107, 2010
3I69
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BU of 3i69 by Molmil
Apo Glutathione Transferase A1-1 GIMF-helix mutant
分子名称: GLUTATHIONE, Glutathione S-transferase A1
著者Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
登録日2009-07-06
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
2YNB
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BU of 2ynb by Molmil
Crystal structure of the main protease of coronavirus HKU4 in complex with a Michael acceptor SG85
分子名称: 3C-LIKE PROTEINASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide, NICKEL (II) ION
著者Ma, Q, Xiao, Y, Hilgenfeld, R.
登録日2012-10-13
公開日2013-10-23
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Inhibitor for the Main Protease of Coronavirus Hku4
To be Published
2G6L
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BU of 2g6l by Molmil
Structure of rat nNOS heme domain (BH2 bound) complexed with NO
分子名称: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
著者Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
登録日2006-02-24
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
5MO5
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BU of 5mo5 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017

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