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4P1U
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Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2014-02-27
公開日2014-07-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
1C4W
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BU of 1c4w by Molmil
1.9 A STRUCTURE OF A-THIOPHOSPHONATE MODIFIED CHEY D57C
分子名称: CHEMOTAXIS PROTEIN CHEY
著者Halkides, C.J, McEvoy, M.M, Matsumura, P, Volz, K, Dahlquist, F.W.
登録日1999-09-28
公開日2000-05-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The 1.9 A resolution crystal structure of phosphono-CheY, an analogue of the active form of the response regulator, CheY.
Biochemistry, 39, 2000
4WT2
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BU of 4wt2 by Molmil
Co-crystal Structure of MDM2 in Complex with AM-7209
分子名称: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-10-30
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
7E5N
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BU of 7e5n by Molmil
crystal structure of cis assembled TROP-2
分子名称: Tumor-associated calcium signal transducer 2
著者Sun, M, Zhang, H, Chai, Y, Qi, J, Gao, G.F, Tan, S.
登録日2021-02-19
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into the cis and trans assembly of human trophoblast cell surface antigen 2.
Iscience, 24, 2021
7E5M
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BU of 7e5m by Molmil
crystal structure of trans assembled human TROP-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor-associated calcium signal transducer 2
著者Sun, M, Zhang, H, Chai, Y, Qi, J, Gao, G.F, Tan, S.
登録日2021-02-19
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into the cis and trans assembly of human trophoblast cell surface antigen 2.
Iscience, 24, 2021
4EML
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BU of 4eml by Molmil
Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with bicarbonate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BICARBONATE ION, CHLORIDE ION, ...
著者Song, H.G.
登録日2012-04-12
公開日2012-06-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.043 Å)
主引用文献Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Biochemistry, 51, 2012
8J19
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BU of 8j19 by Molmil
Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex
分子名称: 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ...
著者Liu, H, Yin, W, Xu, H.E.
登録日2023-04-12
公開日2023-06-21
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
8J18
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BU of 8j18 by Molmil
Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex
分子名称: (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ...
著者Liu, H, Yin, W, Xu, H.E.
登録日2023-04-12
公開日2023-06-21
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
8J1A
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BU of 8j1a by Molmil
Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled
分子名称: Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, H, Yin, W, Xu, H.E.
登録日2023-04-12
公開日2023-06-21
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
4BXF
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BU of 4bxf by Molmil
60S ribosomal protein L27A histidine hydroxylase (MINA53 Y209C) in complex with MN(II), 2-oxoglutarate (2OG) and 60S ribosomal protein L27A (RPL27A G37C) peptide fragment
分子名称: 2-OXOGLUTARIC ACID, 60S RIBOSOMAL PROTEIN L27A, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-07-10
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCN
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BU of 4ccn by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66 L299C/C300S) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-2)
分子名称: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCK
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BU of 4cck by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II) and N-oxalylglycine (NOG)
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, MANGANESE (II) ION, ...
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCJ
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BU of 4ccj by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in apo form
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCO
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BU of 4cco by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66 S373C) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G214C) peptide fragment (complex-3)
分子名称: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCM
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BU of 4ccm by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-1)
分子名称: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
2HEP
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BU of 2hep by Molmil
Solution NMR structure of the UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384.
分子名称: UPF0291 protein ynzC
著者Aramini, J.M, Swapna, G.V.T, Ho, C.K, Shetty, K, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-21
公開日2006-08-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis
Proteins, 72, 2008
7DW5
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BU of 7dw5 by Molmil
Crystal structure of DUX4 HD1-HD2 domain complexed with ERG sites
分子名称: BROMIDE ION, DNA (5'-D(P*CP*GP*AP*CP*TP*TP*GP*AP*TP*GP*AP*GP*AP*TP*TP*AP*GP*AP*CP*TP*G)-3'), Double homeobox protein 4-like protein 2
著者Zhang, H, Cheng, N, Li, Z, Zhang, W, Dong, X, Huang, J, Meng, G.
登録日2021-01-15
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献DNA crosslinking and recombination-activating genes 1/2 (RAG1/2) are required for oncogenic splicing in acute lymphoblastic leukemia.
Cancer Commun (Lond), 41, 2021
7E2V
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BU of 7e2v by Molmil
Crystal structure of MaDA-3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MaDA-3
著者Gao, L, Du, X, Fan, J, Lei, X.
登録日2021-02-07
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Enzymatic control of endo- and exo-stereoselective Diels-Alder reactions with broad substrate scope.
Nat Catal, 2021
2INW
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BU of 2inw by Molmil
Crystal structure of Q83JN9 from Shigella flexneri at high resolution. Northeast Structural Genomics Consortium target SfR137.
分子名称: PHOSPHATE ION, Putative structural protein
著者Kuzin, A.P, Su, M, Jayaraman, S, Vorobiev, S.M, Wang, D, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-10-09
公開日2006-10-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
7X1N
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BU of 7x1n by Molmil
Crystal structure of MEF2D-MRE complex
分子名称: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte enhancer factor 2D/deleted in azoospermia associated protein 1 fusion protein
著者Zhang, H, Zhang, M, Wang, Q.Q, Chen, Z, Chen, S.J, Meng, G.
登録日2022-02-24
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.315 Å)
主引用文献Functional, structural, and molecular characterizations of the leukemogenic driver MEF2D-HNRNPUL1 fusion.
Blood, 140, 2022
2H28
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BU of 2h28 by Molmil
Crystal structure of YeeU from E. coli. Northeast Structural Genomics target ER304
分子名称: CHLORIDE ION, GLYCEROL, Hypothetical protein yeeU, ...
著者Arbing, M, Su, M, Benach, J, Karpowich, N.K, Jiang, M, Xiao, R, Cunningham, K, Ma, L.-C, Chen, C.X, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-05-18
公開日2006-07-18
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
2JZ5
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BU of 2jz5 by Molmil
NMR solution structure of protein VPA0419 from Vibrio parahaemolyticus. Northeast Structural Genomics target VpR68
分子名称: Uncharacterized protein VPA0419
著者Singarapu, K.K, Sukumaran, D.K, Eletski, A, Parish, D, Zhao, L, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2007-12-28
公開日2008-02-19
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structures of proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri provide structural coverage for protein domain family PFAM 04175.
Proteins, 78, 2010
2K3I
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BU of 2k3i by Molmil
Solution NMR structure of protein yiiS from Shigella flexneri. Northeast Structural Genomics Consortium target SfR90
分子名称: Uncharacterized protein yiiS
著者Mills, J.L, Singarapu, K.K, Eletsky, A, Sukumaran, D.K, Wang, D, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2008-05-08
公開日2008-07-08
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structures of proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri provide structural coverage for protein domain family PFAM 04175.
Proteins, 78, 2010
5XQX
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BU of 5xqx by Molmil
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
分子名称: Cyclin-C, Cyclin-dependent kinase 8, GLYCEROL, ...
著者Zhou, Z, Xu, Z.H.
登録日2017-06-07
公開日2017-08-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
2HD3
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BU of 2hd3 by Molmil
Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316
分子名称: Ethanolamine utilization protein eutN
著者Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-19
公開日2006-08-15
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007

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