6B0Y
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![BU of 6b0y by Molmil](/molmil-images/mine/6b0y) | Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | Deposit date: | 2017-09-15 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors. Nat. Struct. Mol. Biol., 25, 2018
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8I5D
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![BU of 8i5d by Molmil](/molmil-images/mine/8i5d) | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, MHC class I antigen (Fragment), TCR alpha chain, ... | Authors: | Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F. | Deposit date: | 2023-01-25 | Release date: | 2023-08-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Nat Commun, 2023
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1XW8
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![BU of 1xw8 by Molmil](/molmil-images/mine/1xw8) | X-ray structure of putative lactam utilization protein YBGL. Northeast Structural Genomics Consortium target ET90. | Descriptor: | UPF0271 protein ybgL | Authors: | Kuzin, A.P, Chen, Y, Vorobiev, S.M, Acton, T.B, Ma, L.-C, Xiao, R, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-10-29 | Release date: | 2004-11-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of putative lactam utilization protein YBGL.
Northeast Structural Genomics Consortium target ET90. To be Published
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7US2
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![BU of 7us2 by Molmil](/molmil-images/mine/7us2) | PARL-cleaved Skd3 (human ClpB) E455Q Nucleotide Binding Domain hexamer bound to ATPgammaS, open conformation | Descriptor: | Caseinolytic peptidase B protein homolog, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Gupta, A, Lentzsch, A.M, Siegel, A.S, Yu, Z, Lu, C, Chio, U.S, Cheng, Y, Shan, S.-o. | Deposit date: | 2022-04-22 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Dodecamer assembly of a metazoan AAA + chaperone couples substrate extraction to refolding. Sci Adv, 9, 2023
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8FNE
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![BU of 8fne by Molmil](/molmil-images/mine/8fne) | phiPA3 PhuN Tetramer, p2 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, PhuN | Authors: | Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A. | Deposit date: | 2022-12-27 | Release date: | 2023-03-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice. Nat Commun, 14, 2023
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8FV5
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![BU of 8fv5 by Molmil](/molmil-images/mine/8fv5) | Representation of 16-mer phiPA3 PhuN Lattice, p2 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, phiPA3 PhuN | Authors: | Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A. | Deposit date: | 2023-01-18 | Release date: | 2023-03-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.21 Å) | Cite: | The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice. Nat Commun, 14, 2023
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1YUD
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![BU of 1yud by Molmil](/molmil-images/mine/1yud) | X-ray Crystal Structure of Protein SO0799 from Shewanella oneidensis. Northeast Structural Genomics Consortium Target SoR12. | Descriptor: | hypothetical protein SO0799 | Authors: | Kuzin, A.P, Vorobiev, S, Chen, Y, Forouhar, F, Acton, T, Ma, L.-C, Xiao, R, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-02-14 | Release date: | 2005-03-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of hypothetical protein SO0799 from Shewanella oneidensis To be Published
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4UAI
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![BU of 4uai by Molmil](/molmil-images/mine/4uai) | Crystal structure of CXCL12 in complex with inhibitor | Descriptor: | 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1 | Authors: | Smith, E.W, Chen, Y. | Deposit date: | 2014-08-09 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine. J.Med.Chem., 57, 2014
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6B0V
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![BU of 6b0v by Molmil](/molmil-images/mine/6b0v) | Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C | Descriptor: | 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one, CALCIUM ION, GTPase KRas, ... | Authors: | Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P. | Deposit date: | 2017-09-15 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors. Nat. Struct. Mol. Biol., 25, 2018
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4Z8I
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![BU of 4z8i by Molmil](/molmil-images/mine/4z8i) | Crystal structure of Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3 | Descriptor: | ZINC ION, peptidoglycan recognition protein 3 | Authors: | Wang, W.J, Cheng, W, Jiang, Y.L, Luo, M, Cao, D.D, Chi, C.B, Yang, H.B, Chen, Y, Zhou, C.Z. | Deposit date: | 2015-04-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain Plos One, 10, 2015
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3EY7
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![BU of 3ey7 by Molmil](/molmil-images/mine/3ey7) | Structure from the mobile metagenome of V. Cholerae. Integron cassette protein VCH_CASS1 | Descriptor: | Biphenyl-2,3-diol 1,2-dioxygenase III-related protein, CALCIUM ION | Authors: | Harrop, S.J, Deshpande, C.N, Sureshan, V, Boucher, Y, Xu, X, Cui, H, Chang, C, Edwards, A, Joachimiak, A, Savchenko, A, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-10-20 | Release date: | 2009-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure from the mobile metagenome of V. Cholerae. Integron cassette protein VCH_CASS1 To be Published
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1ZNP
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![BU of 1znp by Molmil](/molmil-images/mine/1znp) | X-Ray Crystal Structure of Protein Q8U9W0 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR55. | Descriptor: | hypothetical protein Atu3615 | Authors: | Kuzin, A.P, Chen, Y, Forouhar, F, Vorobiev, S.M, Xiao, R, Ma, L.-C, Acton, T, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-05-11 | Release date: | 2005-05-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-Ray structure of the hypothetical protein Q8U9W0 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium target AtR55. To be Published
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3GK6
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![BU of 3gk6 by Molmil](/molmil-images/mine/3gk6) | Crystal structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein VCH_CASS2. | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Integron cassette protein VCH_CASS2 | Authors: | Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A.M, Savchenko, A, Joachimiak, A, Chang, C, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-03-10 | Release date: | 2009-03-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of an Integron Gene Cassette-Associated Protein from Vibrio cholerae Identifies a Cationic Drug-Binding Module. Plos One, 6, 2011
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3CMZ
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![BU of 3cmz by Molmil](/molmil-images/mine/3cmz) | TEM-1 Class-A beta-lactamase L201P mutant apo structure | Descriptor: | Beta-lactamase TEM, PHOSPHATE ION | Authors: | Marciano, D.C, Wang, X, Wang, J, Chen, Y, Thomas, V.L, Shoichet, B.K, Palzkill, T. | Deposit date: | 2008-03-24 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Genetic and structural characterization of an L201P global suppressor substitution in TEM-1 beta-lactamase J.Mol.Biol., 384, 2008
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2ASQ
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![BU of 2asq by Molmil](/molmil-images/mine/2asq) | Solution Structure of SUMO-1 in Complex with a SUMO-binding Motif (SBM) | Descriptor: | Protein inhibitor of activated STAT2, Small ubiquitin-related modifier 1 | Authors: | Song, J, Zhang, Z, Hu, W, Chen, Y. | Deposit date: | 2005-08-23 | Release date: | 2005-10-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Small Ubiquitin-like Modifier (SUMO) Recognition of a SUMO Binding Motif: A reversal of the bound orientation J.Biol.Chem., 280, 2005
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7K9A
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![BU of 7k9a by Molmil](/molmil-images/mine/7k9a) | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2020-09-29 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay. Bioorg.Med.Chem., 28, 2020
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6AKP
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![BU of 6akp by Molmil](/molmil-images/mine/6akp) | Crystal Structural of FOXC2 DNA binding domain bound to PC promoter | Descriptor: | DNA (5'-D(AP*CP*AP*CP*AP*AP*AP*TP*AP*TP*TP*TP*GP*TP*GP*T)-3'), Forkhead box protein C2, MAGNESIUM ION | Authors: | Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y. | Deposit date: | 2018-09-03 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.323 Å) | Cite: | Structural basis for DNA recognition by FOXC2. Nucleic Acids Res., 47, 2019
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6LR0
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![BU of 6lr0 by Molmil](/molmil-images/mine/6lr0) | structure of human bile salt exporter ABCB11 | Descriptor: | Bile salt export pump | Authors: | Wang, L, Hou, W.T, Chen, L, Jiang, Y.L, Xu, D, Sun, L.F, Zhou, C.Z, Chen, Y. | Deposit date: | 2020-01-15 | Release date: | 2020-04-15 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of human bile salts exporter ABCB11. Cell Res., 30, 2020
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4CXX
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![BU of 4cxx by Molmil](/molmil-images/mine/4cxx) | Crystal structure of human FTO in complex with acylhydrazine inhibitor 16 | Descriptor: | (2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION | Authors: | Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G. | Deposit date: | 2014-04-09 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO. Chem Sci, 6, 2015
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4Q48
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![BU of 4q48 by Molmil](/molmil-images/mine/4q48) | |
5IRZ
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![BU of 5irz by Molmil](/molmil-images/mine/5irz) | Structure of TRPV1 determined in lipid nanodisc | Descriptor: | (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium, ... | Authors: | Gao, Y, Cao, E, Julius, D, Cheng, Y. | Deposit date: | 2016-03-15 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action. Nature, 534, 2016
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6LQZ
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![BU of 6lqz by Molmil](/molmil-images/mine/6lqz) | Solution structure of Taf14ET-Sth1EBMC | Descriptor: | Nuclear protein STH1/NPS1, Transcription initiation factor TFIID subunit 14 | Authors: | Wu, B, Chen, G, Chen, Y. | Deposit date: | 2020-01-15 | Release date: | 2020-08-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Taf14 recognizes a common motif in transcriptional machineries and facilitates their clustering by phase separation. Nat Commun, 11, 2020
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7BWQ
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![BU of 7bwq by Molmil](/molmil-images/mine/7bwq) | Structure of nonstructural protein Nsp9 from SARS-CoV-2 | Descriptor: | Nsp9, SULFATE ION | Authors: | Zhang, C, Chen, Y, Li, L, Su, D. | Deposit date: | 2020-04-15 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.954 Å) | Cite: | Structural basis for the multimerization of nonstructural protein nsp9 from SARS-CoV-2. Mol Biomed, 1, 2020
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6BQV
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![BU of 6bqv by Molmil](/molmil-images/mine/6bqv) | Human TRPM4 ion channel in lipid nanodiscs in a calcium-bound state | Descriptor: | CALCIUM ION, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 4 | Authors: | Autzen, H.E, Myasnikov, A.G, Campbell, M.G, Asarnow, D, Julius, D, Cheng, Y. | Deposit date: | 2017-11-28 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the human TRPM4 ion channel in a lipid nanodisc. Science, 359, 2018
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6BQR
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![BU of 6bqr by Molmil](/molmil-images/mine/6bqr) | Human TRPM4 ion channel in lipid nanodiscs in a calcium-free state | Descriptor: | CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 4 | Authors: | Autzen, H.E, Myasnikov, A.G, Campbell, M.G, Asarnow, D, Julius, D, Cheng, Y. | Deposit date: | 2017-11-28 | Release date: | 2017-12-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human TRPM4 ion channel in a lipid nanodisc. Science, 359, 2018
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