8CVQ
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![BU of 8cvq by Molmil](/molmil-images/mine/8cvq) | Crystal structure of TDP1 complexed with compound XZ761 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | Deposit date: | 2022-05-18 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification. Rsc Chem Biol, 4, 2023
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4RAG
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![BU of 4rag by Molmil](/molmil-images/mine/4rag) | CRYSTAL STRUCTURE of PPC2A-D38K | Descriptor: | MANGANESE (II) ION, Protein phosphatase 1A | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | Deposit date: | 2014-09-10 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The catalytic role of the M2 metal ion in PP2C alpha Sci Rep, 5, 2015
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2VG4
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![BU of 2vg4 by Molmil](/molmil-images/mine/2vg4) | Rv2361 native | Descriptor: | UNDECAPRENYL PYROPHOSPHATE SYNTHETASE | Authors: | Naismith, J.H, Wang, W, Dong, C. | Deposit date: | 2007-11-08 | Release date: | 2007-11-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structural basis of chain length control in Rv1086. J. Mol. Biol., 381, 2008
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8GOY
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![BU of 8goy by Molmil](/molmil-images/mine/8goy) | SulE P44R | Descriptor: | 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid, Alpha/beta fold hydrolase, GLYCEROL | Authors: | Liu, B, He, J, Ran, T, Wang, W. | Deposit date: | 2022-08-25 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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8GOL
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![BU of 8gol by Molmil](/molmil-images/mine/8gol) | crystal structure of SulE | Descriptor: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, Alpha/beta fold hydrolase, GLYCEROL | Authors: | Liu, B, Ran, T, Wang, W, He, J. | Deposit date: | 2022-08-25 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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8GP0
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![BU of 8gp0 by Molmil](/molmil-images/mine/8gp0) | crystal structure of SulE | Descriptor: | Alpha/beta fold hydrolase, CITRIC ACID, GLYCEROL | Authors: | Liu, B, Ran, T, wang, W, He, J. | Deposit date: | 2022-08-25 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
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8GQR
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![BU of 8gqr by Molmil](/molmil-images/mine/8gqr) | Crystal structure of VioD with FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ... | Authors: | Ran, T, Wang, W, Xu, M. | Deposit date: | 2022-08-30 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway. Proteins, 91, 2023
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6W3A
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![BU of 6w3a by Molmil](/molmil-images/mine/6w3a) | Structure of unphosphorylated IRE1 in complex with G-7658 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.606 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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7E58
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![BU of 7e58 by Molmil](/molmil-images/mine/7e58) | interferon-inducible anti-viral protein 2 | Descriptor: | Guanylate-binding protein 2 | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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7E59
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![BU of 7e59 by Molmil](/molmil-images/mine/7e59) | interferon-inducible anti-viral protein truncated | Descriptor: | Guanylate-binding protein 5 | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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7E5A
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![BU of 7e5a by Molmil](/molmil-images/mine/7e5a) | interferon-inducible anti-viral protein R356A | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ... | Authors: | Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T. | Deposit date: | 2021-02-18 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins. Proc.Natl.Acad.Sci.USA, 118, 2021
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7E5Y
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![BU of 7e5y by Molmil](/molmil-images/mine/7e5y) | Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD | Descriptor: | 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1 | Authors: | Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M. | Deposit date: | 2021-02-21 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries. Cell Discov, 7, 2021
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6W3E
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![BU of 6w3e by Molmil](/molmil-images/mine/6w3e) | Structure of phosphorylated IRE1 in complex with G-0701 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.737 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6W39
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![BU of 6w39 by Molmil](/molmil-images/mine/6w39) | Structure of unphosphorylated IRE1 in complex with G-1749 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.736 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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7CK6
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![BU of 7ck6 by Molmil](/molmil-images/mine/7ck6) | Protein translocase of mitochondria | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ... | Authors: | Yang, M, Wang, W, Zhang, L, Chen, X. | Deposit date: | 2020-07-15 | Release date: | 2020-11-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Atomic structure of human TOM core complex. Cell Discov, 6, 2020
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4RAF
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![BU of 4raf by Molmil](/molmil-images/mine/4raf) | Crystal structure of PP2Ca-D38A | Descriptor: | MANGANESE (II) ION, Protein phosphatase 1A | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | Deposit date: | 2014-09-10 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | The catalytic role of the M2 metal ion in PP2C alpha Sci Rep, 5, 2015
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6KAF
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![BU of 6kaf by Molmil](/molmil-images/mine/6kaf) | C2S2M2N2-type PSII-LHCII | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X. | Deposit date: | 2019-06-22 | Release date: | 2019-10-23 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Structure of a C2S2M2N2-type PSII-LHCII supercomplex from the green algaChlamydomonas reinhardtii. Proc.Natl.Acad.Sci.USA, 116, 2019
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2VFW
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![BU of 2vfw by Molmil](/molmil-images/mine/2vfw) | Rv1086 native | Descriptor: | SHORT-CHAIN Z-ISOPRENYL DIPHOSPHATE SYNTHETASE, SULFATE ION | Authors: | Naismith, J.H, Wang, W, Dong, C. | Deposit date: | 2007-11-05 | Release date: | 2007-11-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structural basis of chain length control in Rv1086. J. Mol. Biol., 381, 2008
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2VG1
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![BU of 2vg1 by Molmil](/molmil-images/mine/2vg1) | Rv1086 E,E-farnesyl diphosphate complex | Descriptor: | FARNESYL DIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Naismith, J.H, Wang, W, Dong, C. | Deposit date: | 2007-11-07 | Release date: | 2007-11-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structural basis of chain length control in Rv1086. J. Mol. Biol., 381, 2008
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4RA2
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![BU of 4ra2 by Molmil](/molmil-images/mine/4ra2) | PP2Ca | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | Deposit date: | 2014-09-09 | Release date: | 2015-05-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The catalytic role of the M2 metal ion in PP2Ca SCI REP, 2015
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4XJ0
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![BU of 4xj0 by Molmil](/molmil-images/mine/4xj0) | Crystal structure of ERK2 in complex with an inhibitor 14K | Descriptor: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | Authors: | Yin, J, Wang, W. | Deposit date: | 2015-01-08 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J.Med.Chem., 58, 2015
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1X24
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![BU of 1x24 by Molmil](/molmil-images/mine/1x24) | Prl-1 (ptp4a) | Descriptor: | protein tyrosine phosphatase 4a1 | Authors: | Zhang, Z.Y, Sun, J.P, Liu, S, Wang, W.Q, Yang, H. | Deposit date: | 2005-04-20 | Release date: | 2005-10-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and Biochemical Properties of PRL-1, a Phosphatase Implicated in Cell Growth, Differentiation, and Tumor Invasion(,) Biochemistry, 44, 2005
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7EQV
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![BU of 7eqv by Molmil](/molmil-images/mine/7eqv) | Crystal structure of JMJD2A complexed with 3,4-dihydroxybenzoic acid | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, Lysine-specific demethylase 4A, ... | Authors: | Fang, W.-K, Yang, S.-M, Wang, W.-C. | Deposit date: | 2021-05-04 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Natural product myricetin is a pan-KDM4 inhibitor which with poly lactic-co-glycolic acid formulation effectively targets castration-resistant prostate cancer. J.Biomed.Sci., 29, 2022
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8W4P
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![BU of 8w4p by Molmil](/molmil-images/mine/8w4p) | Structure of PSII-FCPII-I/J/K complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, ... | Authors: | Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana. Nat Commun, 14, 2023
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8W4O
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![BU of 8w4o by Molmil](/molmil-images/mine/8w4o) | Structure of PSII-FCPII-G/H complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ... | Authors: | Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana. Nat Commun, 14, 2023
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