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7NAH
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BU of 7nah by Molmil
Crystal structure of the TIR domain from human SARM1 in complex with 2AD
分子名称: Sterile alpha and TIR motif-containing protein 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{H}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
著者Shi, Y, Ve, T.
登録日2021-06-21
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
5W38
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1.80A resolution structure of human IgG3 Fc (N392K)
分子名称: CITRATE ANION, Immunoglobulin heavy constant gamma 3, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Shah, I, Tolbert, T.J.
登録日2017-06-07
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural characterization of the Man5 glycoform of human IgG3 Fc.
Mol. Immunol., 92, 2017
7VA1
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BU of 7va1 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
分子名称: 4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide, D-3-phosphoglycerate dehydrogenase
著者Cen, Y, Gao, D, Zhou, J, Tian, P.
登録日2021-08-27
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
To Be Published
7NAJ
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BU of 7naj by Molmil
Crystal structure of the TIR domain from human SARM1 in complex with ara-2'F-ADPR
分子名称: 1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol, Sterile alpha and TIR motif-containing protein 1
著者Shi, Y, Ve, T.
登録日2021-06-21
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
7N07
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BU of 7n07 by Molmil
Crystal structure of the apo 3D6 antibody fragment
分子名称: Fab 3D6 heavy chain, Fab 3D6 light chain, SULFATE ION
著者Cook, J.D, Lee, J.E.
登録日2021-05-25
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
6MFW
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BU of 6mfw by Molmil
Crystal structure of a 4-domain construct of LgrA in the substrate donation state
分子名称: (2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, ...
著者Reimer, J.M, Eivaskhani, M, Schmeing, T.M.
登録日2018-09-12
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
5L2Q
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BU of 5l2q by Molmil
Serine/threonine-protein kinase 40 (STK40) kinase homology domain
分子名称: Serine/threonine-protein kinase 40
著者Durzynska, I, Uljon, S, Blacklow, S.C.
登録日2016-08-02
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献STK40 Is a Pseudokinase that Binds the E3 Ubiquitin Ligase COP1.
Structure, 25, 2017
7N04
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BU of 7n04 by Molmil
Crystal structure of the apo F240 antibody fragment
分子名称: Fab F240 heavy chain, Fab F240 light chain, alpha-D-glucopyranose
著者Cook, J.D, Lee, J.E.
登録日2021-05-25
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.70000517 Å)
主引用文献Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
5KLC
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BU of 5klc by Molmil
Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome
分子名称: Carbohydrate binding module E1
著者Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M.
登録日2016-06-24
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties.
J.Biol.Chem., 291, 2016
8C13
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BU of 8c13 by Molmil
Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-12-20
公開日2022-12-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
7N08
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BU of 7n08 by Molmil
Crystal structure of the 3D6 antibody fragment bound to the HIV-1 gp41 immunodominant region
分子名称: Fab 3D6 heavy chain, Fab 3D6 light chain, HIV-1 gp41 immunodominant region
著者Cook, J.D, Lee, J.E.
登録日2021-05-25
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
5KM9
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BU of 5km9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) adenosine complex
分子名称: ADENOSINE, CHLORIDE ION, GLYCEROL, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5VQ3
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BU of 5vq3 by Molmil
Nitrogenase Cp1 at pH 6.5
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ...
著者Morrison, C.N, Spatzal, T, Rees, D.C.
登録日2017-05-07
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Reversible Protonated Resting State of the Nitrogenase Active Site.
J. Am. Chem. Soc., 139, 2017
5L3Y
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BU of 5l3y by Molmil
Designed Artificial Cupredoxins
分子名称: Streptavidin, [CuII(biot-et-dpea)]2+
著者Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
登録日2016-05-24
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
7VXT
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BU of 7vxt by Molmil
Crystal structure of a selenomethionine-labeled BPSL1038 from Burkholderia pseudomallei
分子名称: BETA-MERCAPTOETHANOL, BPSL1038, SODIUM ION
著者Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L.
登録日2021-11-13
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family.
Commun Biol, 6, 2023
5L44
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BU of 5l44 by Molmil
Structure of K-26-DCP in complex with the K-26 tripeptide
分子名称: K-26 dipeptidyl carboxypeptidase, MAGNESIUM ION, N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID, ...
著者Masuyer, G, Acharya, K.R, Kramer, G.J, Bachmann, B.O.
登録日2016-05-24
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor.
FEBS J., 283, 2016
8OSD
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BU of 8osd by Molmil
Crystal structure of the titin domain Fn3-49
分子名称: Titin
著者Nikoopour, R, Rees, M, Gautel, M.
登録日2023-04-18
公開日2023-08-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
5ENN
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BU of 5enn by Molmil
The crystal structure of Human VPS34 in complex with a selective and potent inhibitor
分子名称: 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
著者Kearney, E.P.
登録日2015-11-09
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Potent, selective, and orally bioavailable inhibitors of VPS34 provide chemical tools to modulate autophagy in vivo
To Be Published
7N05
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BU of 7n05 by Molmil
Crystal structure of the F240 antibody fragment bound to the HIV-1 gp41 immunodominant region
分子名称: ACETATE ION, Fab F240 heavy chain, Fab F240 light chain, ...
著者Cook, J.D, Lee, J.E.
登録日2021-05-25
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
7PDY
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BU of 7pdy by Molmil
A viral peptide from Marek's disease virus bound to chicken MHC-II molecule
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 38 kDa phosphoprotein,MHC class II beta chain, ...
著者Goryanin, A, Cook, A.G, Kaufman, J, Halabi, S.
登録日2021-08-09
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Viral peptide bound to chicken MHC-II molecule
To Be Published
7VXR
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BU of 7vxr by Molmil
Crystal structure of BPSL1038 from Burkholderia pseudomallei
分子名称: BPSL1038, SODIUM ION
著者Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L.
登録日2021-11-13
公開日2023-08-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family.
Commun Biol, 6, 2023
8ONN
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BU of 8onn by Molmil
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with 3-aminooxypropionic acid
分子名称: 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV
著者Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O.
登録日2023-04-03
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
8BZJ
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BU of 8bzj by Molmil
Human MST3 (STK24) kinase in complex with inhibitor MRLW5
分子名称: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
著者Balourdas, D.I, Rak, M, Tesch, R, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2022-12-14
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
J.Med.Chem., 67, 2024
5EO2
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BU of 5eo2 by Molmil
Structural and biochemical characterization of the hypothetical protein SAV2348 from Staphylococcus aureus in complex with CoA.
分子名称: COENZYME A, thioesterase
著者Khandokar, Y.B, Srivastava, P, Forwood, J.K.
登録日2015-11-10
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical characterization of the hypothetical protein SAV2348 from Staphylococcus aureus in complex with CoA
To Be Published
8BXX
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Crystal structure of formate dehydrogenase FDH2 enzyme from Granulicella mallensis MP5ACTX8 in complex with NAD and azide.
分子名称: 1,2-ETHANEDIOL, AZIDE ION, Formate dehydrogenase, ...
著者Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L.
登録日2022-12-10
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献From the amelioration of a NADP+-dependent formate dehydrogenase to the discovery of a new enzyme: round trip from theory to practice
ChemCatChem, 2020

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件を2024-10-02に公開中

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