3MCU
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![BU of 3mcu by Molmil](/molmil-images/mine/3mcu) | Crystal structure of the dipicolinate synthase chain B from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR215. | Descriptor: | Dipicolinate synthase, B chain, PHOSPHATE ION | Authors: | Vorobiev, S, Lew, S, Abashidze, M, Seetharaman, J, Wang, H, Ciccosanti, C, Foote, E.L, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-03-29 | Release date: | 2010-04-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Crystal structure of the dipicolinate synthase chain B from Bacillus cereus. To be Published
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3B57
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![BU of 3b57 by Molmil](/molmil-images/mine/3b57) | Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. Northeast Structural Consortium target LkR65 | Descriptor: | Lin1889 protein, MAGNESIUM ION | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Benach, J, Forouhar, F, Vorobiev, S.M, Wang, H, Janjua, H, Cunningham, K, Ma, L.-C, 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: | 2007-10-25 | Release date: | 2007-11-06 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. To be Published
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3UDP
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![BU of 3udp by Molmil](/molmil-images/mine/3udp) | Crystal Structure of BACE with Compound 12 | Descriptor: | (4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, 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 (1.95 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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3UDH
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![BU of 3udh by Molmil](/molmil-images/mine/3udh) | Crystal Structure of BACE with Compound 1 | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, 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: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 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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4QAP
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![BU of 4qap by Molmil](/molmil-images/mine/4qap) | The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Yu, X, Bi, W.X, Sun, J.P. | Deposit date: | 2014-05-05 | Release date: | 2015-02-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | The second-sphere residue T263 is important for the function and catalytic activity of PTP1B via interaction with the WPD-loop Int.J.Biochem.Cell Biol., 57, 2014
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4QAH
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![BU of 4qah by Molmil](/molmil-images/mine/4qah) | The second sphere residue T263 is important for function and activity of PTP1B through modulating WPD loop | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xiao, P, Wang, X, Wang, H.M, Fu, X.L, Cui, F.A, Bi, W.X. | Deposit date: | 2014-05-05 | Release date: | 2014-12-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | The second-sphere residue T263 is important for the function and catalytic activity of PTP1B via interaction with the WPD-loop Int.J.Biochem.Cell Biol., 57C, 2014
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2KYW
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![BU of 2kyw by Molmil](/molmil-images/mine/2kyw) | Solution NMR Structure of a domain of adhesion exoprotein from Pediococcus pentosaceus, Northeast Structural Genomics Consortium Target PtR41O | Descriptor: | Adhesion exoprotein | Authors: | He, Y, Eletsky, A, Mills, J.L, Wang, H, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Lee, H.-W, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-06-09 | Release date: | 2010-08-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of a domain of adhesion exoprotein from Pediococcus pentosaceus, Northeast Structural Genomics Consortium Target PtR41O To be Published
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3NV6
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![BU of 3nv6 by Molmil](/molmil-images/mine/3nv6) | Crystal Structure of Camphor-Bound CYP101D2 | Descriptor: | CAMPHOR, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, W, Bell, S.G, Wang, H, Zhou, W.H, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-07-08 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of CYP101D2 unveils a potential path for substrate entry into the active site Biochem.J., 433, 2011
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1LP9
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![BU of 1lp9 by Molmil](/molmil-images/mine/1lp9) | Xenoreactive complex AHIII 12.2 TCR bound to p1049/HLA-A2.1 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Buslepp, J, Wang, H, Biddison, W.E, Appella, E, Collins, E.J. | Deposit date: | 2002-05-07 | Release date: | 2003-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A correlation between TCR Valpha docking on MHC and CD8 dependence: implications for T cell selection. Immunity, 19, 2003
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2FH2
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![BU of 2fh2 by Molmil](/molmil-images/mine/2fh2) | C-terminal half of gelsolin soaked in EGTA at pH 4.5 | Descriptor: | CALCIUM ION, 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 (2.5 Å) | Cite: | Calcium ion exchange in crystalline gelsolin J.Mol.Biol., 357, 2006
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8HMX
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![BU of 8hmx by Molmil](/molmil-images/mine/8hmx) | |
8T8W
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![BU of 8t8w by Molmil](/molmil-images/mine/8t8w) | Crystal structure of Terrestrivirus Inositol pyrophosphatase kinase in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Kinase, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2023-06-23 | Release date: | 2023-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus. Embo J., 43, 2024
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8TFA
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![BU of 8tfa by Molmil](/molmil-images/mine/8tfa) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with myo-5-PP-IP4, produced upon myo-(2OH)-IP5 phosphorylation by TvIPK | Descriptor: | (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2023-07-09 | Release date: | 2023-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus. Embo J., 43, 2024
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8T99
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![BU of 8t99 by Molmil](/molmil-images/mine/8t99) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with Scyllo-L-1,4-[PP]2-(2,3)IP2, Mg, and Fluoride ion | Descriptor: | (1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)], CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2023-06-23 | Release date: | 2023-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus. Embo J., 43, 2024
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8T98
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![BU of 8t98 by Molmil](/molmil-images/mine/8t98) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with Scyllo-3-PP-(1,2,4,5)IP4, Mg, and Fluoride ion | Descriptor: | (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2023-06-23 | Release date: | 2023-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus. Embo J., 43, 2024
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8TF9
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![BU of 8tf9 by Molmil](/molmil-images/mine/8tf9) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with myo-5-IP7, produced upon myo-IP6 phosphorylation by TvI | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2023-07-09 | Release date: | 2023-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus. Embo J., 43, 2024
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8T8X
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![BU of 8t8x by Molmil](/molmil-images/mine/8t8x) | Crystal structure of Terrestrivirus inositol pyrophosphate kinase in complex with AMP-PNP | Descriptor: | CADMIUM ION, Kinase, PHOSPHATE ION, ... | Authors: | Zong, G, Wang, H, Shears, S.B. | Deposit date: | 2023-06-23 | Release date: | 2023-11-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Biochemical and structural characterization of an inositol pyrophosphate kinase from a giant virus. Embo J., 43, 2024
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6J5T
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![BU of 6j5t by Molmil](/molmil-images/mine/6j5t) | Reconstitution and structure of a plant NLR resistosome conferring immunity | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ... | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | Deposit date: | 2019-01-12 | Release date: | 2019-03-20 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Reconstitution and structure of a plant NLR resistosome conferring immunity. Science, 364, 2019
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6J6J
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![BU of 6j6j by Molmil](/molmil-images/mine/6j6j) | Biotin-bound streptavidin | Descriptor: | BIOTIN, 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 (3.2 Å) | Cite: | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution. Nat Commun, 10, 2019
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5H1B
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![BU of 5h1b by Molmil](/molmil-images/mine/5h1b) | Human RAD51 presynaptic complex | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, MAGNESIUM ION, ... | Authors: | Xu, J, Zhao, L, Xu, Y, Zhao, W, Sung, P, Wang, H.W. | Deposit date: | 2016-10-08 | Release date: | 2016-12-21 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structures of human RAD51 recombinase filaments during catalysis of DNA-strand exchange Nat. Struct. Mol. Biol., 24, 2017
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5H1C
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![BU of 5h1c by Molmil](/molmil-images/mine/5h1c) | Human RAD51 post-synaptic complexes | Descriptor: | DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, ... | Authors: | Xu, J, Zhao, L, Xu, Y, Zhao, W, Sung, P, Wang, H.W. | Deposit date: | 2016-10-08 | Release date: | 2016-12-21 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structures of human RAD51 recombinase filaments during catalysis of DNA-strand exchange Nat. Struct. Mol. Biol., 24, 2017
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4FJ4
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![BU of 4fj4 by Molmil](/molmil-images/mine/4fj4) | Crystal structure of the protein Q9HRE7 complexed with mercury from Halobacterium salinarium at the resolution 2.1A, Northeast Structural Genomics Consortium target HsR50 | Descriptor: | ETHYL MERCURY ION, SODIUM ION, Uncharacterized protein | Authors: | Kuzin, A, Chen, Y, Vorobiev, S.M, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Maglaqui, M, Owens, L.A, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-11 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Northeast Structural Genomics Consortium Target HsR50 To be Published
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2LG2
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![BU of 2lg2 by Molmil](/molmil-images/mine/2lg2) | Structure of the duplex containing HNE derived (6S,8R,11S) N2-dG cyclic hemiacetal when placed opposite dT | Descriptor: | (2R,5S)-5-pentyltetrahydrofuran-2-ol, 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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2L5Q
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![BU of 2l5q by Molmil](/molmil-images/mine/2l5q) | Solution NMR Structure of BVU_3817 from Bacteroides vulgatus, Northeast Structural Genomics Consortium Target BvR159 | Descriptor: | Uncharacterized protein | Authors: | Mills, J.L, Eletsky, A, Lee, H, Wang, H, Ciccosanti, C, Hamilton, K, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-11-03 | Release date: | 2011-01-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target BvR159 To be Published
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5Z1Q
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![BU of 5z1q by Molmil](/molmil-images/mine/5z1q) | Crystal structures of the trimeric N-terminal domain of Ciliate Euplotes octocarinatus Centrin | Descriptor: | CALCIUM ION, CHLORIDE ION, Centrin protein | Authors: | Wang, W, Zhao, Y, Yang, B, Wang, H. | Deposit date: | 2017-12-27 | Release date: | 2018-04-25 | Last modified: | 2018-06-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the trimeric N-terminal domain of ciliate Euplotes octocarinatus centrin binding with calcium ions Protein Sci., 27, 2018
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