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4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
Descriptor: (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
Authors:Jacobs, M.D.
Deposit date:2014-02-27
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite: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
Descriptor: CHEMOTAXIS PROTEIN CHEY
Authors:Halkides, C.J, McEvoy, M.M, Matsumura, P, Volz, K, Dahlquist, F.W.
Deposit date:1999-09-28
Release date:2000-05-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: 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
Authors:Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
Deposit date:2014-10-30
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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
Descriptor: Tumor-associated calcium signal transducer 2
Authors:Sun, M, Zhang, H, Chai, Y, Qi, J, Gao, G.F, Tan, S.
Deposit date:2021-02-19
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor-associated calcium signal transducer 2
Authors:Sun, M, Zhang, H, Chai, Y, Qi, J, Gao, G.F, Tan, S.
Deposit date:2021-02-19
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BICARBONATE ION, CHLORIDE ION, ...
Authors:Song, H.G.
Deposit date:2012-04-12
Release date:2012-06-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.043 Å)
Cite: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
Descriptor: 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ...
Authors:Liu, H, Yin, W, Xu, H.E.
Deposit date:2023-04-12
Release date:2023-06-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite: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
Descriptor: (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ...
Authors:Liu, H, Yin, W, Xu, H.E.
Deposit date:2023-04-12
Release date:2023-06-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite: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
Descriptor: Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, H, Yin, W, Xu, H.E.
Deposit date:2023-04-12
Release date:2023-06-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, 60S RIBOSOMAL PROTEIN L27A, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2013-07-10
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2013-10-23
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
Deposit date:2013-10-23
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66
Authors:Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
Deposit date:2013-10-23
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2013-10-23
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2013-10-23
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite: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.
Descriptor: UPF0291 protein ynzC
Authors: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)
Deposit date:2006-06-21
Release date:2006-08-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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
Descriptor: 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
Authors:Zhang, H, Cheng, N, Li, Z, Zhang, W, Dong, X, Huang, J, Meng, G.
Deposit date:2021-01-15
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, MaDA-3
Authors:Gao, L, Du, X, Fan, J, Lei, X.
Deposit date:2021-02-07
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite: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.
Descriptor: PHOSPHATE ION, Putative structural protein
Authors: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)
Deposit date:2006-10-09
Release date:2006-10-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 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
Authors:Zhang, H, Zhang, M, Wang, Q.Q, Chen, Z, Chen, S.J, Meng, G.
Deposit date:2022-02-24
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.315 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, Hypothetical protein yeeU, ...
Authors: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)
Deposit date:2006-05-18
Release date:2006-07-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Uncharacterized protein VPA0419
Authors: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)
Deposit date:2007-12-28
Release date:2008-02-19
Last modified:2024-05-08
Method:SOLUTION NMR
Cite: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
Descriptor: Uncharacterized protein yiiS
Authors: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)
Deposit date:2008-05-08
Release date:2008-07-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite: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
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2017-06-07
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Ethanolamine utilization protein eutN
Authors: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)
Deposit date:2006-06-19
Release date:2006-08-15
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007

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