3UDQ
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![BU of 3udq by Molmil](/molmil-images/mine/3udq) | Crystal Structure of BACE with Compound 13 | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDM
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![BU of 3udm by Molmil](/molmil-images/mine/3udm) | Crystal Structure of BACE with Compound 8 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3ICL
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![BU of 3icl by Molmil](/molmil-images/mine/3icl) | X-Ray Structure of Protein (EAL/GGDEF domain protein) from M.capsulatus, Northeast Structural Genomics Consortium Target McR174C | Descriptor: | EAL/GGDEF domain protein, SULFATE ION | Authors: | Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-07-17 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Northeast Structural Genomics Consortium Target McR174C To be Published
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2FH4
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![BU of 2fh4 by Molmil](/molmil-images/mine/2fh4) | C-terminal half of gelsolin soaked in EGTA at pH 8 | Descriptor: | Gelsolin | Authors: | Chumnarnsilpa, S, Loonchanta, A, Xue, B, Choe, H, Urosev, D, Wang, H, Burtnick, L.D, Robinson, R.C. | Deposit date: | 2005-12-23 | Release date: | 2006-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Calcium ion exchange in crystalline gelsolin J.Mol.Biol., 357, 2006
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2JQZ
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![BU of 2jqz by Molmil](/molmil-images/mine/2jqz) | Solution Structure of the C2 domain of human Smurf2 | Descriptor: | E3 ubiquitin-protein ligase SMURF2 | Authors: | Wiesner, S, Ogunjimi, A.A, Wang, H, Rotin, D, Sicheri, F, Wrana, J.L, Forman-Kay, J.D. | Deposit date: | 2007-06-15 | Release date: | 2007-09-11 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Autoinhibition of the HECT-Type Ubiquitin Ligase Smurf2 through Its C2 Domain Cell(Cambridge,Mass.), 130, 2007
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3TYH
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![BU of 3tyh by Molmil](/molmil-images/mine/3tyh) | Crystal structure of oxo-cupper clusters binding to ferric binding protein from Neisseria gonorrhoeae | Descriptor: | COPPER (II) ION, FbpA protein | Authors: | Chen, W.J, Wang, H.F, Zhou, C.J, Ye, D.R, Huang, J, Tan, X.S, Zhong, W.Q. | Deposit date: | 2011-09-26 | Release date: | 2012-09-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of oxo-cupper clusters binding to ferric binding protein from Neisseria gonorrhoeae To be Published
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2LG3
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![BU of 2lg3 by Molmil](/molmil-images/mine/2lg3) | Structure of the duplex containing HNE derived (6S,8R,11S) gamma-HO-PdG when placed opposite dT | Descriptor: | (4S)-nonane-1,4-diol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') | Authors: | Huang, H, Wang, H, Kozekova, A, Lloyd, R.S, Rizzo, C.J, Stone, M.P. | Deposit date: | 2011-07-19 | Release date: | 2012-08-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ring-chain tautomerization of trans-4-hydroxynonenal derived (6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct when placed opposite 2'-deoxythymidine in duplex To be Published
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2Z8N
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![BU of 2z8n by Molmil](/molmil-images/mine/2z8n) | Structural basis for the catalytic mechanism of phosphothreonine lyase | Descriptor: | 27.5 kDa virulence protein, SULFATE ION | Authors: | Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J. | Deposit date: | 2007-09-07 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the catalytic mechanism of phosphothreonine lyase. Nat.Struct.Mol.Biol., 15, 2008
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2MIO
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![BU of 2mio by Molmil](/molmil-images/mine/2mio) | Solution NMR Structure of SH3 Domain 1 of Rho GTPase-activating Protein 10 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9129A | Descriptor: | Rho GTPase-activating protein 10 | Authors: | Xu, X, Eletsky, A, Pulavarti, S.V.S.R.K, Wang, H, Janjua, H, Xiao, R, Everett, J.K, Sukumaran, D.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-12-16 | Release date: | 2014-01-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of SH3 Domain 1 of Rho GTPase-activating Protein 10 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9129A To be Published
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2KYI
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![BU of 2kyi by Molmil](/molmil-images/mine/2kyi) | Solution NMR structure of Dsy0195(21-82) protein from Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Target DhR8C | Descriptor: | Uncharacterized protein | Authors: | Yang, Y, Ramelot, T.A, Cort, J.R, Wang, H, Ciccosanti, C, Foote, E.L, Jiang, M, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-05-27 | Release date: | 2010-06-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Combining NMR and EPR methods for homodimer protein structure determination. J.Am.Chem.Soc., 132, 2010
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6J5U
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![BU of 6j5u by Molmil](/molmil-images/mine/6j5u) | Ligand-triggered allosteric ADP release primes a plant NLR complex | Descriptor: | Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ... | Authors: | Wang, J.Z, Wang, J, Meijuan, H, Wang, H.W, Zhou, J.M, Chai, J.J. | Deposit date: | 2019-01-12 | Release date: | 2019-04-03 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex. Science, 364, 2019
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6J6K
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![BU of 6j6k by Molmil](/molmil-images/mine/6j6k) | Apo-state streptavidin | Descriptor: | Streptavidin | Authors: | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | Deposit date: | 2019-01-15 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution. Nat Commun, 10, 2019
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2QGM
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![BU of 2qgm by Molmil](/molmil-images/mine/2qgm) | Crystal structure of succinoglycan biosynthesis protein at the resolution 1.7 A. Northeast Structural Genomics Consortium target BcR136. | Descriptor: | Succinoglycan biosynthesis protein | Authors: | Kuzin, A.P, Abashidze, M, Jayaraman, S, Wang, H, Fang, Y, Maglaqui, M, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-06-29 | Release date: | 2007-07-24 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of succinoglycan biosynthesis protein at the resolution 1.7 A. Northeast Structural Genomics Consortium target BcR136. To be Published
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2L3F
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![BU of 2l3f by Molmil](/molmil-images/mine/2l3f) | Solution NMR Structure of a putative Uracil DNA glycosylase from Methanosarcina acetivorans, Northeast Structural Genomics Consortium Target MvR76 | Descriptor: | Uncharacterized protein | Authors: | Aramini, J.M, Hamilton, K, Ciccosanti, C.T, Wang, H, Lee, H.W, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-09-13 | Release date: | 2010-10-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of a putative Uracil DNA glycosylase from Methanosarcina acetivorans, Northeast Structural Genomics Consortium Target MvR76 To be Published
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2RAD
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![BU of 2rad by Molmil](/molmil-images/mine/2rad) | Crystal structure of the succinoglycan biosynthesis protein. Northeast structural Genomics Consortium target BcR135 | Descriptor: | Succinoglycan biosynthesis protein | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-09-14 | Release date: | 2007-10-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the succinoglycan biosynthesis protein. To be Published
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7C8U
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![BU of 7c8u by Molmil](/molmil-images/mine/7c8u) | The crystal structure of COVID-19 main protease in complex with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The crystal structure of COVID-19 main protease in complex with GC376 To Be Published
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6JPD
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![BU of 6jpd by Molmil](/molmil-images/mine/6jpd) | Mouse receptor-interacting protein kinase 3 (RIP3) amyloid structure by solid-state NMR | Descriptor: | Receptor-interacting serine/threonine-protein kinase 3 | Authors: | Wu, X.L, Hu, H, Zhang, J, Dong, X.Q, Wang, J, Schwieters, C, Wang, H.Y, Lu, J.X. | Deposit date: | 2019-03-26 | Release date: | 2020-10-28 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | The amyloid structure of mouse RIPK3 (receptor interacting protein kinase 3) in cell necroptosis. Nat Commun, 12, 2021
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2RB6
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![BU of 2rb6 by Molmil](/molmil-images/mine/2rb6) | X-Ray structure of the protein Q8EI81. Northeast Structural Genomics Consortium target SoR78A | Descriptor: | Uncharacterized protein | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Vorobiev, S.M, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-09-18 | Release date: | 2007-10-23 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-Ray structure of the protein Q8EI81. To be Published
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4YM5
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![BU of 4ym5 by Molmil](/molmil-images/mine/4ym5) | Crystal structure of the human nucleosome containing 6-4PP (inside) | Descriptor: | 144 mer-DNA, 144-mer DNA, Histone H2A type 1-B/E, ... | Authors: | Osakabe, A, Tachiwana, H, Kagawa, W, Horikoshi, N, Matsumoto, S, Hasegawa, M, Matsumoto, N, Toga, T, Yamamoto, J, Hanaoka, F, Thoma, N.H, Sugasawa, K, Iwai, S, Kurumizaka, H. | Deposit date: | 2015-03-06 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.005 Å) | Cite: | Structural basis of pyrimidine-pyrimidone (6-4) photoproduct recognition by UV-DDB in the nucleosome Sci Rep, 5, 2015
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7TN3
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3P3Q
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![BU of 3p3q by Molmil](/molmil-images/mine/3p3q) | Crystal Structure of MmoQ Response regulator from Methylococcus capsulatus str. Bath at the resolution 2.4A, Northeast Structural Genomics Consortium Target McR175M | Descriptor: | MmoQ, SODIUM ION, SULFATE ION | Authors: | Kuzin, A.P, Vorobiev, S.M, Abashidze, M, Seetharaman, J, Janjua, J, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-10-05 | Release date: | 2010-11-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Northeast Structural Genomics Consortium Target McR175M To be Published
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6KH3
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![BU of 6kh3 by Molmil](/molmil-images/mine/6kh3) | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | Deposit date: | 2019-07-12 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
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3LBA
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![BU of 3lba by Molmil](/molmil-images/mine/3lba) | |
3LXD
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![BU of 3lxd by Molmil](/molmil-images/mine/3lxd) | Crystal Structure of Ferredoxin Reductase ArR from Novosphingobium aromaticivorans | Descriptor: | FAD-dependent pyridine nucleotide-disulphide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-02-25 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444 J.Biol.Chem., 285, 2010
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2MSV
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![BU of 2msv by Molmil](/molmil-images/mine/2msv) | Solution structure of the MLKL N-terminal domain | Descriptor: | Mixed lineage kinase domain-like protein | Authors: | Su, L, Rizo, J, Quade, B, Wang, H, Sun, L, Wang, X. | Deposit date: | 2014-08-07 | Release date: | 2014-09-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A Plug Release Mechanism for Membrane Permeation by MLKL. Structure, 22, 2014
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