3H4J
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![BU of 3h4j by Molmil](/molmil-images/mine/3h4j) | crystal structure of pombe AMPK KDAID fragment | Descriptor: | SNF1-like protein kinase ssp2 | Authors: | Chen, L, Jiao, Z.-H, Zheng, L.-S, Zhang, Y.-Y, Xie, S.-T, Wang, Z.-X, Wu, J.-W. | Deposit date: | 2009-04-20 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insight into the autoinhibition mechanism of AMP-activated protein kinase Nature, 459, 2009
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1Z68
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![BU of 1z68 by Molmil](/molmil-images/mine/1z68) | Crystal Structure Of Human Fibroblast Activation Protein alpha | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Aertgeerts, K, Levin, I, Shi, L, Prasad, G.S, Zhang, Y, Kraus, M.L, Salakian, S, Snell, G.P, Sridhar, V, Wijnands, R, Tennant, M.G. | Deposit date: | 2005-03-21 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and kinetic analysis of the substrate specificity of human fibroblast activation protein alpha. J.Biol.Chem., 280, 2005
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4N24
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![BU of 4n24 by Molmil](/molmil-images/mine/4n24) | Crystal structure of Protein Arginine Deiminase 2 (100 uM Ca2+) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.968 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N2M
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![BU of 4n2m by Molmil](/molmil-images/mine/4n2m) | Crystal structure of Protein Arginine Deiminase 2 (E354A, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-05 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N2F
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![BU of 4n2f by Molmil](/molmil-images/mine/4n2f) | Crystal structure of Protein Arginine Deiminase 2 (D169A, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N2G
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![BU of 4n2g by Molmil](/molmil-images/mine/4n2g) | Crystal structure of Protein Arginine Deiminase 2 (D169A, 10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N2B
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![BU of 4n2b by Molmil](/molmil-images/mine/4n2b) | Crystal structure of Protein Arginine Deiminase 2 (10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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2AQ7
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![BU of 2aq7 by Molmil](/molmil-images/mine/2aq7) | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli | Descriptor: | (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | Deposit date: | 2005-08-17 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli J.Med.Chem., 49, 2006
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4N2E
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![BU of 4n2e by Molmil](/molmil-images/mine/4n2e) | Crystal structure of Protein Arginine Deiminase 2 (D123N, 10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.858 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4N2A
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![BU of 4n2a by Molmil](/molmil-images/mine/4n2a) | Crystal structure of Protein Arginine Deiminase 2 (5 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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1PFB
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![BU of 1pfb by Molmil](/molmil-images/mine/1pfb) | Structural Basis for specific binding of polycomb chromodomain to histone H3 methylated at K27 | Descriptor: | ACETIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Min, J.R, Zhang, Y, Xu, R.-M. | Deposit date: | 2003-05-24 | Release date: | 2003-10-07 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for specific binding of Polycomb chromodomain to histone H3 methylated at Lys 27. Genes Dev., 17, 2003
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8J8G
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![BU of 8j8g by Molmil](/molmil-images/mine/8j8g) | Monkeypox virus DNA replication holoenzyme F8, A22 and E4 in complex with a DNA duplex and cidofovir diphosphate | Descriptor: | CALCIUM ION, DNA (5'-D(P*AP*GP*CP*TP*GP*CP*TP*AP*TP*GP*AP*GP*AP*TP*TP*AP*AP*GP*TP*TP*AP*T)-3'), DNA (5'-D(P*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*GP*AP*TP*AP*AP*CP*TP*TP*AP*AP*TP*CP*TP*CP*AP*CP*AP*TP*AP*GP*CP*AP*GP*CP*T)-3'), ... | Authors: | Xu, Y, Wu, Y, Wu, X, Zhang, Y, Yang, Y, Li, D, Yang, B, Gao, K, Zhang, Z, Dong, C. | Deposit date: | 2023-05-01 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structural basis of human mpox viral DNA replication inhibition by brincidofovir and cidofovir. Int.J.Biol.Macromol., 270, 2024
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8K14
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![BU of 8k14 by Molmil](/molmil-images/mine/8k14) | X-ray crystal structure of 18a in BRD4(1) | Descriptor: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | Authors: | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | Deposit date: | 2023-07-10 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation. Eur.J.Med.Chem., 263, 2024
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6K61
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![BU of 6k61 by Molmil](/molmil-images/mine/6k61) | Cryo-EM structure of the tetrameric photosystem I from a heterocyst-forming cyanobacterium Anabaena sp. PCC7120 | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Zheng, L, Li, Y, Li, X, Zhong, Q, Li, N, Zhang, K, Zhang, Y, Chu, H, Ma, C, Li, G, Zhao, J, Gao, N. | Deposit date: | 2019-05-31 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.37 Å) | Cite: | Structural and functional insights into the tetrameric photosystem I from heterocyst-forming cyanobacteria. Nat.Plants, 5, 2019
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3FZ3
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![BU of 3fz3 by Molmil](/molmil-images/mine/3fz3) | Crystal Structure of almond Pru1 protein | Descriptor: | CALCIUM ION, Prunin, SODIUM ION | Authors: | Jin, T.C, Zhang, Y.Z. | Deposit date: | 2009-01-23 | Release date: | 2009-11-10 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of prunin-1, a major component of the almond (Prunus dulcis) allergen amandin. J.Agric.Food Chem., 57, 2009
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3JA8
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![BU of 3ja8 by Molmil](/molmil-images/mine/3ja8) | Cryo-EM structure of the MCM2-7 double hexamer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Minichromosome Maintenance 2, Minichromosome Maintenance 3, ... | Authors: | Li, N, Zhai, Y, Zhang, Y, Li, W, Yang, M, Lei, J, Tye, B.K, Gao, N. | Deposit date: | 2015-05-09 | Release date: | 2015-08-05 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of the eukaryotic MCM complex at 3.8 angstrom Nature, 524, 2015
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6V4P
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![BU of 6v4p by Molmil](/molmil-images/mine/6v4p) | Structure of the integrin AlphaIIbBeta3-Abciximab complex | Descriptor: | Abciximab, heavy chain, light chain, ... | Authors: | Nesic, D, Zhang, Y, Spasic, A, Li, J, Provasi, D, Filizola, M, Walz, T, Coller, B.S. | Deposit date: | 2019-11-28 | Release date: | 2020-02-05 | Last modified: | 2020-03-11 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-Electron Microscopy Structure of the alpha IIb beta 3-Abciximab Complex. Arterioscler Thromb Vasc Biol., 40, 2020
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6VG7
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![BU of 6vg7 by Molmil](/molmil-images/mine/6vg7) | |
6VGA
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![BU of 6vga by Molmil](/molmil-images/mine/6vga) | |
6VGB
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![BU of 6vgb by Molmil](/molmil-images/mine/6vgb) | |
4LGB
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![BU of 4lgb by Molmil](/molmil-images/mine/4lgb) | ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ... | Authors: | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | Deposit date: | 2013-06-27 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. Cell Res., 23, 2013
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4LG5
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![BU of 4lg5 by Molmil](/molmil-images/mine/4lg5) | ABA-mimicking ligand QUINABACTIN in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | Abscisic acid receptor PYL2, MAGNESIUM ION, Protein phosphatase 2C 16, ... | Authors: | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | Deposit date: | 2013-06-27 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. Cell Res., 23, 2013
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4LGA
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![BU of 4lga by Molmil](/molmil-images/mine/4lga) | ABA-mimicking ligand N-(2-OXO-1-PROPYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-PHENYLMETHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide, ... | Authors: | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | Deposit date: | 2013-06-27 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. Cell Res., 23, 2013
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4MEX
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![BU of 4mex by Molmil](/molmil-images/mine/4mex) | Crystal structure of Escherichia coli RNA polymerase in complex with salinamide A | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H. | Deposit date: | 2013-08-27 | Release date: | 2014-05-21 | Last modified: | 2014-06-25 | Method: | X-RAY DIFFRACTION (3.902 Å) | Cite: | Transcription inhibition by the depsipeptide antibiotic salinamide A. Elife, 3, 2014
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3KVM
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![BU of 3kvm by Molmil](/molmil-images/mine/3kvm) | |