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7M3I
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Structure of SARS-CoV-2 spike protein receptor binding domain in complex with a neutralizing antibody, CV2-75 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2-75 Fab Heavy chain, CV2-75 Fab Light chain, ...
著者Hurlburt, N.K, Pancera, M.
登録日2021-03-18
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Isolation and characterization of cross-neutralizing coronavirus antibodies from COVID-19+ subjects.
Cell Rep, 36, 2021
5MOH
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Crystal structure of CK2alpha with ZT0583 bound.
分子名称: 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 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
5MWC
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BU of 5mwc by Molmil
Crystal structure of the genetically-encoded green calcium indicator NTnC in its calcium bound state
分子名称: CALCIUM ION, genetically-encoded green calcium indicator NTnC
著者Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Rakitina, T.V, Popov, V.O, Subach, O.M, Barykina, N.V, Subach, F.V.
登録日2017-01-18
公開日2018-02-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Enchanced variant of genetically-encoded green calcium indicator NTnC
To Be Published
3JUE
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BU of 3jue by Molmil
Crystal Structure of ArfGAP and ANK repeat domain of ACAP1
分子名称: ARFGAP with coiled-coil, ANK repeat and PH domain-containing protein 1, SULFATE ION, ...
著者Pang, X, Zhang, K, Ma, J, Zhou, Q, Sun, F.
登録日2009-09-15
公開日2010-09-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanistic insights into regulated cargo binding by ACAP1 protein
J.Biol.Chem., 287, 2012
2YZD
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Crystal structure of uricase from Arthrobacter globiformis in complex with 8-azaxanthin (inhibitor)
分子名称: 8-AZAXANTHINE, Uricase
著者Juan, E.C.M, Hossain, M.T, Hoque, M.M, Suzuki, K, Sekiguchi, T, Takenaka, A.
登録日2007-05-05
公開日2008-05-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Trapping of the uric acid substrate in the crystal structure of urate oxidase from Arthrobacter globiformis
To be Published
7GAV
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BU of 7gav 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 MAT-POS-f7918075-2 (SARS2_MproA-x0854)
分子名称: (3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
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 (1.77 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
5MPI
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BU of 5mpi by Molmil
Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily
分子名称: Grainyhead-like protein 1 homolog
著者Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U.
登録日2016-12-16
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.345 Å)
主引用文献Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Nucleic Acids Res., 46, 2018
3JWV
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BU of 3jwv by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2009-09-18
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3JX8
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BU of 3jx8 by Molmil
Crystal structure of Putative lipid binding protein (YP_001304415.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution
分子名称: CHLORIDE ION, GLYCEROL, Putative lipoprotein, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-09-18
公開日2009-11-10
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Putative lipid binding protein (YP_001304415.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution
To be published
2PLV
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BU of 2plv by Molmil
STRUCTURAL FACTORS THAT CONTROL CONFORMATIONAL TRANSITIONS AND SEROTYPE SPECIFICITY IN TYPE 3 POLIOVIRUS
分子名称: HUMAN POLIOVIRUS TYPE 1 (SUBUNIT VP1), HUMAN POLIOVIRUS TYPE 1 (SUBUNIT VP2), HUMAN POLIOVIRUS TYPE 1 (SUBUNIT VP3), ...
著者Filman, D.J, Hogle, J.M.
登録日1989-10-17
公開日1989-10-17
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural factors that control conformational transitions and serotype specificity in type 3 poliovirus
EMBO J., 8, 1989
3JYR
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BU of 3jyr by Molmil
Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium.
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Maltose-binding periplasmic protein
著者Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E.
登録日2009-09-22
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium.
J.Mol.Biol., 397, 2010
2G59
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BU of 2g59 by Molmil
Crystal Structure of the Catalytic Domain of Protein Tyrosine Phosphatase from Homo sapiens
分子名称: PHOSPHATE ION, Receptor-type tyrosine-protein phosphatase O
著者Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-02-22
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
5MX8
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BU of 5mx8 by Molmil
Crystal structure of H. pylori purine nucleoside phosphorylase from clinical isolate HpPNP-3
分子名称: HYPOXANTHINE, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type, ...
著者Stefanic, Z.
登録日2017-01-21
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural characterization of purine nucleoside phosphorylase from human pathogen Helicobacter pylori.
Int. J. Biol. Macromol., 101, 2017
5MXB
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Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin
分子名称: Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, SODIUM ION, ...
著者Sliwiak, J, Sikorski, M, Jaskolski, M.
登録日2017-01-22
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
7GAW
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BU of 7gaw 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 MAT-POS-e194df51-1 (SARS2_MproA-x0862)
分子名称: (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
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 (1.812 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
2G5P
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BU of 2g5p by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac
分子名称: 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID, Dipeptidyl peptidase 4
著者Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X.
登録日2006-02-23
公開日2006-07-04
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
3JZU
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BU of 3jzu by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Leu-L-Tyr
分子名称: Dipeptide Epimerase, LEUCINE, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2009-09-24
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3K0X
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Crystal structure of telomere capping protein Ten1 from Saccharomyces pombe
分子名称: IODIDE ION, Protein Ten1
著者Gelinas, A.D, Reyes, F.E, Batey, R.T, Wuttke, D.S.
登録日2009-09-25
公開日2009-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Telomere capping proteins are structurally related to RPA with an additional telomere-specific domain.
Proc.Natl.Acad.Sci.USA, 106, 2009
3K11
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Crystal structure of Putative glycosyl hydrolase (NP_813087.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.80 A resolution
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative glycosyl hydrolase
著者Joint Center for Structural Genomics (JCSG)
登録日2009-09-25
公開日2009-11-03
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 Putative glycosyl hydrolase (NP_813087.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.80 A resolution
To be Published
3JDW
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CRYSTAL STRUCTURE AND MECHANISM OF L-ARGININE: GLYCINE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED IN CREATINE BIOSYNTHESIS
分子名称: L-ARGININE:GLYCINE AMIDINOTRANSFERASE, L-ornithine
著者Humm, A, Fritsche, E, Steinbacher, S, Huber, R.
登録日1997-01-24
公開日1998-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure and mechanism of human L-arginine:glycine amidinotransferase: a mitochondrial enzyme involved in creatine biosynthesis.
EMBO J., 16, 1997
2PSN
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Crystal structure of enolase1
分子名称: Alpha-enolase, MAGNESIUM ION, PHOSPHATE ION
著者Hyo, J.K, Seung, J.K, Sang, J.C.
登録日2007-05-07
公開日2008-05-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Enolase1 alpha
To be Published
3KK6
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Crystal Structure of Cyclooxygenase-1 in complex with celecoxib
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, CITRATE ANION, ...
著者Sidhu, R.S.
登録日2009-11-04
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1.
Proc.Natl.Acad.Sci.USA, 107, 2010
5L6D
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Crystal structure of the human METTL3-METTL14 complex bound to SAH
分子名称: ACETATE ION, MAGNESIUM ION, N6-adenosine-methyltransferase 70 kDa subunit, ...
著者Sledz, P, Jinek, M.
登録日2016-05-29
公開日2016-10-12
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Structural insights into the molecular mechanism of the m(6)A writer complex.
Elife, 5, 2016
7M2W
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Engineered disulfide cross-linked closed conformation of the Yeast gamma-TuRC(SS)
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Spindle pole body component 110, Spindle pole body component SPC97, ...
著者Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A.
登録日2021-03-17
公開日2021-05-12
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation.
Elife, 10, 2021
7GBR
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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 BEN-DND-7e92b6ca-4 (Mpro-x10403)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(2-anilinoethyl)-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 (1.49 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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