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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4N28
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![BU of 4n28 by Molmil](/molmil-images/mine/4n28) | Crystal structure of Protein Arginine Deiminase 2 (1 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 (1.879 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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6KZJ
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![BU of 6kzj by Molmil](/molmil-images/mine/6kzj) | Crystal structure of Ankyrin B/NdeL1 complex | Descriptor: | Ankyrin-2, Nuclear distribution protein nudE-like 1 | Authors: | Ye, J, Li, J, Ye, F, Zhang, M, Zhang, Y, Wang, C. | Deposit date: | 2019-09-24 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic insights into the interactions of dynein regulator Ndel1 with neuronal ankyrins and implications in polarity maintenance. Proc.Natl.Acad.Sci.USA, 117, 2020
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7VLB
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![BU of 7vlb by Molmil](/molmil-images/mine/7vlb) | |
3SMQ
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![BU of 3smq by Molmil](/molmil-images/mine/3smq) | Crystal structure of protein arginine methyltransferase 3 | Descriptor: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ... | Authors: | Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An allosteric inhibitor of protein arginine methyltransferase 3. Structure, 20, 2012
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6JXM
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![BU of 6jxm by Molmil](/molmil-images/mine/6jxm) | Crystal Structure of phi29 pRNA domain II | Descriptor: | BARIUM ION, MAGNESIUM ION, RNA (97-mer) | Authors: | Cai, R, Price, I.R, Ding, F, Wu, F, Chen, T, Zhang, Y, Liu, G, Jardine, P.J, Lu, C, Ke, A. | Deposit date: | 2019-04-24 | Release date: | 2019-08-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | ATP/ADP modulates gp16-pRNA conformational change in the Phi29 DNA packaging motor. Nucleic Acids Res., 47, 2019
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3SMR
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![BU of 3smr by Molmil](/molmil-images/mine/3smr) | Crystal structure of human WD repeat domain 5 with compound | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5. Biochem. J., 449, 2013
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6HMH
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![BU of 6hmh by Molmil](/molmil-images/mine/6hmh) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) and alpha-1,2-mannobiose | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J. | Deposit date: | 2018-09-12 | Release date: | 2018-09-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase. Org.Lett., 20, 2018
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3SMS
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![BU of 3sms by Molmil](/molmil-images/mine/3sms) | Human Pantothenate kinase 3 in complex with a pantothenate analog | Descriptor: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase 3, ... | Authors: | Mottaghi, K, Tempel, W, Hong, B, Smil, D, Bolshan, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human Pantothenate kinase 3 in complex with a pantothenate analog to be published
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4M85
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![BU of 4m85 by Molmil](/molmil-images/mine/4m85) | |
6KOP
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![BU of 6kop by Molmil](/molmil-images/mine/6kop) | Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 9 nt | Descriptor: | DNA (5'-D(*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3'), DNA (5'-D(*TP*TP*GP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Li, L, Zhang, Y. | Deposit date: | 2019-08-12 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.303 Å) | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription. Proc.Natl.Acad.Sci.USA, 117, 2020
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6HMG
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![BU of 6hmg by Molmil](/molmil-images/mine/6hmg) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J. | Deposit date: | 2018-09-12 | Release date: | 2018-09-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase. Org.Lett., 20, 2018
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6KOQ
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![BU of 6koq by Molmil](/molmil-images/mine/6koq) | Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 10 nt | Descriptor: | DNA (5'-D(*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3'), DNA (5'-D(*TP*TP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Li, L, Zhang, Y. | Deposit date: | 2019-08-12 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.353 Å) | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription. Proc.Natl.Acad.Sci.USA, 117, 2020
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7YE1
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![BU of 7ye1 by Molmil](/molmil-images/mine/7ye1) | The cryo-EM structure of C. crescentus GcrA-TACup | Descriptor: | Cell cycle regulatory protein GcrA, DNA (57-MER)-non template, DNA (57-MER)-template, ... | Authors: | Wu, X.X, Zhang, Y. | Deposit date: | 2022-07-05 | Release date: | 2023-01-18 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of Caulobacter crescentus transcription activation complex with an essential cell cycle regulator GcrA Nucleic Acids Res., 2023
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7YE2
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![BU of 7ye2 by Molmil](/molmil-images/mine/7ye2) | The cryo-EM structure of C. crescentus GcrA-TACdown | Descriptor: | Cell cycle regulatory protein GcrA, DNA (90-MER)-non template, DNA (90-MER)-template, ... | Authors: | Wu, X.X, Zhang, Y. | Deposit date: | 2022-07-05 | Release date: | 2023-01-18 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of Caulobacter crescentus transcription activation complex with an essential cell cycle regulator GcrA Nucleic Acids Res., 2023
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7XRD
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![BU of 7xrd by Molmil](/molmil-images/mine/7xrd) | |
6KON
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![BU of 6kon by Molmil](/molmil-images/mine/6kon) | Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 5 nt | Descriptor: | DNA (5'-D(P*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3'), DNA (5'-D(P*GP*TP*TP*GP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Li, L, Zhang, Y. | Deposit date: | 2019-08-12 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription. Proc.Natl.Acad.Sci.USA, 117, 2020
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6KOO
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![BU of 6koo by Molmil](/molmil-images/mine/6koo) | Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 7 nt | Descriptor: | DNA (5'-D(*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3'), DNA (5'-D(*TP*TP*GP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Li, L, Zhang, Y. | Deposit date: | 2019-08-12 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription. Proc.Natl.Acad.Sci.USA, 117, 2020
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3UR4
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![BU of 3ur4 by Molmil](/molmil-images/mine/3ur4) | Crystal structure of human WD repeat domain 5 with compound | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-11-21 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5. Biochem. J., 449, 2013
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6XGZ
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![BU of 6xgz by Molmil](/molmil-images/mine/6xgz) | Crystal structure of E. coli MlaFB ABC transport subunits in the monomeric state | Descriptor: | 1,2-ETHANEDIOL, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ... | Authors: | Chang, Y, Bhabha, G, Ekiert, D.C. | Deposit date: | 2020-06-18 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of MlaFB uncovers novel mechanisms of ABC transporter regulation. Elife, 9, 2020
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7DQZ
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![BU of 7dqz by Molmil](/molmil-images/mine/7dqz) | Crystal structure of SARS 3C-like protease in apo form | Descriptor: | 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2020-12-24 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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6LIG
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![BU of 6lig by Molmil](/molmil-images/mine/6lig) | |