6GDS
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![BU of 6gds by Molmil](/molmil-images/mine/6gds) | Holliday Junctions formed from Telomeric DNA | Descriptor: | Telomeric DNA (5' CTAACCCTAA) 10mer, Telomeric DNA (5'-TTAGGGTTAG)-3') 10mer | Authors: | Parkinson, G.N, Haider, S, Li, P, Khiali, S, Munnur, D, Ramanathan, A. | Deposit date: | 2018-04-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Holliday Junctions Formed from Human Telomeric DNA. J. Am. Chem. Soc., 140, 2018
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6GDN
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![BU of 6gdn by Molmil](/molmil-images/mine/6gdn) | Holliday Junctions formed from Telomeric DNA | Descriptor: | MAGNESIUM ION, Telomere DNA (42-MER) | Authors: | Parkinson, G.N, Haider, S, Li, P, Khiali, S, Munnur, D, Ramanathan, A. | Deposit date: | 2018-04-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Holliday Junctions Formed from Human Telomeric DNA. J. Am. Chem. Soc., 140, 2018
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6GDH
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![BU of 6gdh by Molmil](/molmil-images/mine/6gdh) | Holliday Junctions formed from Telomeric DNA | Descriptor: | DNA (5'-D(*CP*TP*AP*AP*CP*CP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3') | Authors: | Parkinson, G.N, Haider, S, Li, P, Khiali, S, Munnur, D, Ramanathan, A. | Deposit date: | 2018-04-23 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Holliday Junctions Formed from Human Telomeric DNA. J. Am. Chem. Soc., 140, 2018
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1LCY
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![BU of 1lcy by Molmil](/molmil-images/mine/1lcy) | Crystal Structure of the Mitochondrial Serine Protease HtrA2 | Descriptor: | HtrA2 serine protease | Authors: | Li, W, Srinivasula, S.M, Chai, J, Li, P, Wu, J.W, Zhang, Z, Alnemri, E.S, Shi, Y. | Deposit date: | 2002-04-07 | Release date: | 2002-05-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into the pro-apoptotic function of mitochondrial serine protease HtrA2/Omi. Nat.Struct.Biol., 9, 2002
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5C1Y
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![BU of 5c1y by Molmil](/molmil-images/mine/5c1y) | Crystal structure of EV71 3C Proteinase in complex with Compound 1 | Descriptor: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C20
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![BU of 5c20 by Molmil](/molmil-images/mine/5c20) | Crystal structure of EV71 3C Proteinase in complex with Compound 2 | Descriptor: | 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C1X
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![BU of 5c1x by Molmil](/molmil-images/mine/5c1x) | Crystal structure of EV71 3C Proteinase in complex with Compound VIII | Descriptor: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5GMR
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![BU of 5gmr by Molmil](/molmil-images/mine/5gmr) | |
2VXW
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![BU of 2vxw by Molmil](/molmil-images/mine/2vxw) | |
6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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5JXU
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![BU of 5jxu by Molmil](/molmil-images/mine/5jxu) | Structural basis for the catalytic activity of Thermomonospora curvata heme-containing DyP-type peroxidase. | Descriptor: | Dyp-type peroxidase family, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ramyar, K.X, Carlson, E.A, Li, P, Geisbrecht, B.V. | Deposit date: | 2016-05-13 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Identification of Surface-Exposed Protein Radicals and A Substrate Oxidation Site in A-Class Dye-Decolorizing Peroxidase from Thermomonospora curvata. ACS Catal, 6, 2016
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5DP4
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![BU of 5dp4 by Molmil](/molmil-images/mine/5dp4) | Crystal Structure of EV71 3C Proteinase in complex with compound 3 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP6
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![BU of 5dp6 by Molmil](/molmil-images/mine/5dp6) | Crystal Structure of EV71 3C Proteinase in complex with compound 7 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5JLY
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![BU of 5jly by Molmil](/molmil-images/mine/5jly) | Structure of Peroxiredoxin-1 from Schistosoma japonicum | Descriptor: | Thioredoxin peroxidase-1 | Authors: | Wu, Q, Huang, F, Zeng, D, Liu, X, Zhao, J, Wang, H, Peng, Y, Li, P, Li, Y. | Deposit date: | 2016-04-27 | Release date: | 2017-05-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.051 Å) | Cite: | Crystal structure of Peroxiredoxin-1 from Schistosoma japonicum To Be Published
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8T5K
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![BU of 8t5k by Molmil](/molmil-images/mine/8t5k) | Crystal structure of STING CTD in complex with BDW-OH | Descriptor: | Stimulator of interferon genes protein, {[(4S)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetic acid | Authors: | Li, Y, Li, P, Sun, D. | Deposit date: | 2023-06-13 | Release date: | 2023-07-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants. Biorxiv, 2023
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1IBX
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![BU of 1ibx by Molmil](/molmil-images/mine/1ibx) | NMR STRUCTURE OF DFF40 AND DFF45 N-TERMINAL DOMAIN COMPLEX | Descriptor: | CHIMERA OF IGG BINDING PROTEIN G AND DNA FRAGMENTATION FACTOR 45, DNA FRAGMENTATION FACTOR 40 | Authors: | Zhou, P, Lugovskoy, A.A, McCarty, J.S, Li, P, Wagner, G. | Deposit date: | 2001-03-29 | Release date: | 2001-05-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of DFF40 and DFF45 N-terminal domain complex and mutual chaperone activity of DFF40 and DFF45. Proc.Natl.Acad.Sci.USA, 98, 2001
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5DP9
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![BU of 5dp9 by Molmil](/molmil-images/mine/5dp9) | Crystal Structure of EV71 3C Proteinase in complex with compound 9 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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6V42
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![BU of 6v42 by Molmil](/molmil-images/mine/6v42) | |
6V43
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![BU of 6v43 by Molmil](/molmil-images/mine/6v43) | Crystal structure of the flavin oxygenase with cofactor and substrate bound involved in folate catabolism | Descriptor: | FAD/FMN-containing dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, pteridine-2,4(1H,3H)-dione | Authors: | Begley, T.P, Adak, S, Zhao, B, Li, P. | Deposit date: | 2019-11-27 | Release date: | 2020-12-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A novel flavoenzyme catalyzed Baeyer-Villiger type rearrangement in bacterial folic acid catabolic pathway To Be Published
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5DP5
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![BU of 5dp5 by Molmil](/molmil-images/mine/5dp5) | Crystal Structure of EV71 3C Proteinase in complex with compound 4 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2016-04-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP7
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![BU of 5dp7 by Molmil](/molmil-images/mine/5dp7) | Crystal Structure of EV71 3C Proteinase in complex with compound 5 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP8
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![BU of 5dp8 by Molmil](/molmil-images/mine/5dp8) | Crystal Structure of EV71 3C Proteinase in complex with compound 8 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DPA
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![BU of 5dpa by Molmil](/molmil-images/mine/5dpa) | Crystal Structure of EV71 3C Proteinase in complex with compound 6 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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