8H7N
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![BU of 8h7n by Molmil](/molmil-images/mine/8h7n) | Structure of nanobody 11A in complex with triazophos | Descriptor: | 1,2-ETHANEDIOL, Nanobody 11A, SODIUM ION, ... | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | Deposit date: | 2022-10-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of nanobody 11A in complex with triazophos To Be Published
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8H7M
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![BU of 8h7m by Molmil](/molmil-images/mine/8h7m) | Structure of nanobody 11A in complex with parathion | Descriptor: | Nanobody 11A, parathion | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | Deposit date: | 2022-10-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of nanobody 11A in complex with parathion To Be Published
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8H7I
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![BU of 8h7i by Molmil](/molmil-images/mine/8h7i) | Structure of nanobody 11A in complex with quinalphos | Descriptor: | Nanobody 11A, quinalphos | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | Deposit date: | 2022-10-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of nanobody 11A in complex with quinalphos To Be Published
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8H7R
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![BU of 8h7r by Molmil](/molmil-images/mine/8h7r) | Structure of nanobody 11A in complex with coumaphos | Descriptor: | Nanobody 11A, coumaphos | Authors: | Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M. | Deposit date: | 2022-10-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of nanobody 11A in complex with coumaphos To Be Published
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8IRW
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![BU of 8irw by Molmil](/molmil-images/mine/8irw) | |
4N81
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![BU of 4n81 by Molmil](/molmil-images/mine/4n81) | |
4F7M
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![BU of 4f7m by Molmil](/molmil-images/mine/4f7m) | Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PA (649-658) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, George, F.G. | Deposit date: | 2012-05-16 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals. J.Virol., 86, 2012
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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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4FI1
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![BU of 4fi1 by Molmil](/molmil-images/mine/4fi1) | Crystal structure of scCK2 alpha in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ... | Authors: | Liu, H, Wang, H, Teng, M, Li, X. | Deposit date: | 2012-06-07 | Release date: | 2013-06-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of scCK2 alpha in complex with ATP To be Published
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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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3UDJ
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![BU of 3udj by Molmil](/molmil-images/mine/3udj) | Crystal Structure of BACE with Compound 5 | 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: | 2013-06-19 | Method: | X-RAY DIFFRACTION (1.8 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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3UDR
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![BU of 3udr by Molmil](/molmil-images/mine/3udr) | Crystal Structure of BACE with Compound 14 | Descriptor: | 1,2-ETHANEDIOL, 1-cyanocyclohexyl (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 (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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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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3UQH
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![BU of 3uqh by Molmil](/molmil-images/mine/3uqh) | Crystal structure of aba receptor pyl10 (apo) | Descriptor: | Abscisic acid receptor PYL10, SULFATE ION | Authors: | Sun, D.M, Wang, H.P, Wu, M.H, Zang, J.Y, Tian, C.L. | Deposit date: | 2011-11-20 | Release date: | 2011-12-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of Aba Receptor Pyl10 To be Published
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4FCZ
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![BU of 4fcz by Molmil](/molmil-images/mine/4fcz) | Crystal Structure of Toluene-tolerance protein from Pseudomonas putida (strain KT2440), Northeast Structural Genomics Consortium (NESG) Target PpR99 | Descriptor: | Toluene-tolerance protein | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-05-25 | Release date: | 2013-02-13 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Northeast Structural Genomics Consortium Target PpR99 To be Published
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5GOU
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![BU of 5gou by Molmil](/molmil-images/mine/5gou) | Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign | Descriptor: | Ferritin heavy chain | Authors: | Zhang, S, Zang, J, Wang, W, Wang, H, Zhao, G. | Deposit date: | 2016-07-29 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Conversion of the Native 24-mer Ferritin Nanocage into Its Non-Native 16-mer Analogue by Insertion of Extra Amino Acid Residues. Angew. Chem. Int. Ed. Engl., 55, 2016
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3UE8
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![BU of 3ue8 by Molmil](/molmil-images/mine/3ue8) | Kynurenine Aminotransferase II Inhibitors | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ... | Authors: | Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R. | Deposit date: | 2011-10-28 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia. ACS Med Chem Lett, 3, 2012
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6WO9
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![BU of 6wo9 by Molmil](/molmil-images/mine/6wo9) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 1-diphosphoinositol pentakisphosphate (1-IP7) and Mg | Descriptor: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G.N, Wang, H.C, Shears, S.B. | Deposit date: | 2020-04-24 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
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6WOI
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![BU of 6woi by Molmil](/molmil-images/mine/6woi) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 1-Diphosphoinositol pentakisphosphate, Mg, and Fluoride ion, presoaked with 1,5-IP8, Mg and Fluoride for 30 seconds | Descriptor: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G.N, Wang, H.C, Shears, S.B. | Deposit date: | 2020-04-24 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
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6WO7
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![BU of 6wo7 by Molmil](/molmil-images/mine/6wo7) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5-Diphosphoinositol pentakisphosphate (5-IP7), Mg, and Fluoride ion | 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.N, Wang, H.C, Shears, S.B. | Deposit date: | 2020-04-24 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
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6WO8
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![BU of 6wo8 by Molmil](/molmil-images/mine/6wo8) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5-diphosphoinositol 1,3,4,6-tetrakisphosphate (5-PP-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.N, Wang, H.C, Shears, S.B. | Deposit date: | 2020-04-24 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
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6WOA
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![BU of 6woa by Molmil](/molmil-images/mine/6woa) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 2-Diphosphoinositol pentakisphosphate (2-IP7), Mg, and Fluoride ion | Descriptor: | (1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Zong, G.N, Wang, H.C, Shears, S.B. | Deposit date: | 2020-04-24 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
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6WOF
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![BU of 6wof by Molmil](/molmil-images/mine/6wof) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with inositol hexakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 20min in the absence of Fluoride. | Descriptor: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Zong, G.N, Wang, H.C, Shears, S.B. | Deposit date: | 2020-04-24 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1. Faseb J., 35, 2021
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