7XHN
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![BU of 7xhn by Molmil](/molmil-images/mine/7xhn) | Structure of human inner kinetochore CCAN-DNA complex | Descriptor: | CENP-W, Centromere protein C, Centromere protein H, ... | Authors: | Sun, L.F, Tian, T, Wang, C.L, Yang, Z.S, Zang, J.Y. | Deposit date: | 2022-04-09 | Release date: | 2023-01-25 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Structural insights into human CCAN complex assembled onto DNA. Cell Discov, 8, 2022
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3I6D
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![BU of 3i6d by Molmil](/molmil-images/mine/3i6d) | Crystal structure of PPO from bacillus subtilis with AF | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ... | Authors: | Shen, Y. | Deposit date: | 2009-07-06 | Release date: | 2009-12-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural insight into unique properties of protoporphyrinogen oxidase from Bacillus subtilis J.Struct.Biol., 170, 2010
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4IMB
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![BU of 4imb by Molmil](/molmil-images/mine/4imb) | |
4JH0
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![BU of 4jh0 by Molmil](/molmil-images/mine/4jh0) | Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide | Descriptor: | 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4 | Authors: | Klei, H.E. | Deposit date: | 2013-03-04 | Release date: | 2013-09-04 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
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2PJT
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![BU of 2pjt by Molmil](/molmil-images/mine/2pjt) | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344 | Descriptor: | CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ... | Authors: | Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L. | Deposit date: | 2007-04-16 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket. Bioorg.Med.Chem., 15, 2007
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7DV5
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![BU of 7dv5 by Molmil](/molmil-images/mine/7dv5) | |
7E1A
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![BU of 7e1a by Molmil](/molmil-images/mine/7e1a) | |
4KSY
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![BU of 4ksy by Molmil](/molmil-images/mine/4ksy) | |
4IYG
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![BU of 4iyg by Molmil](/molmil-images/mine/4iyg) | |
3SVM
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![BU of 3svm by Molmil](/molmil-images/mine/3svm) | Human MPP8 - human DNMT3AK47me2 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, M-phase phosphoprotein 8 | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-12 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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3SWC
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![BU of 3swc by Molmil](/molmil-images/mine/3swc) | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-13 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.332 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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3SX4
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![BU of 3sx4 by Molmil](/molmil-images/mine/3sx4) | Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | Authors: | Klei, H.E. | Deposit date: | 2011-07-14 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site. Bioorg.Med.Chem.Lett., 21, 2011
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4LKO
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![BU of 4lko by Molmil](/molmil-images/mine/4lko) | Crystal structure of human DPP-IV in complex with BMS-744891 | Descriptor: | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 | Authors: | Klei, H.E. | Deposit date: | 2013-07-08 | Release date: | 2013-09-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
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4O67
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![BU of 4o67 by Molmil](/molmil-images/mine/4o67) | Human cyclic GMP-AMP synthase (cGAS) in complex with GAMP | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | Deposit date: | 2013-12-20 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4O68
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![BU of 4o68 by Molmil](/molmil-images/mine/4o68) | Structure of human cyclic GMP-AMP synthase (cGAS) | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | Deposit date: | 2013-12-20 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.436 Å) | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4O69
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![BU of 4o69 by Molmil](/molmil-images/mine/4o69) | Human cyclic GMP-AMP synthase (cGAS) in complex with sulfate ion | Descriptor: | Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | Deposit date: | 2013-12-20 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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4O6A
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![BU of 4o6a by Molmil](/molmil-images/mine/4o6a) | Mouse cyclic GMP-AMP synthase (cGAS) in complex with DNA | Descriptor: | Cyclic GMP-AMP synthase, DNA1, DNA2, ... | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | Deposit date: | 2013-12-20 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.859 Å) | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop. Cell Rep, 6, 2014
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3SW9
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![BU of 3sw9 by Molmil](/molmil-images/mine/3sw9) | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me0 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, SINEFUNGIN, ... | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-13 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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3SWW
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![BU of 3sww by Molmil](/molmil-images/mine/3sww) | Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | Authors: | Klei, H.E. | Deposit date: | 2011-07-14 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site. Bioorg.Med.Chem.Lett., 21, 2011
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3UX9
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![BU of 3ux9 by Molmil](/molmil-images/mine/3ux9) | Structural insights into a human anti-IFN antibody exerting therapeutic potential for systemic lupus erythematosus | Descriptor: | Interferon alpha-1/13, ScFv antibody | Authors: | Ouyang, S, Zhao, L.X, Liang, W, Shaw, N, Liu, Z.-J, Liang, M.-F. | Deposit date: | 2011-12-04 | Release date: | 2012-02-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into a human anti-IFN antibody exerting therapeutic potential for systemic lupus erythematosus J.Mol.Med., 2012
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3UEO
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3UEN
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![BU of 3uen by Molmil](/molmil-images/mine/3uen) | Crystal structure of TopBP1 BRCT4/5 domains | Descriptor: | DNA topoisomerase 2-binding protein 1, GLYCEROL, THIOCYANATE ION | Authors: | Leung, C.C, Glover, J.N.M. | Deposit date: | 2011-10-31 | Release date: | 2013-07-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into recognition of MDC1 by TopBP1 in DNA replication checkpoint control. Structure, 21, 2013
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7WL4
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![BU of 7wl4 by Molmil](/molmil-images/mine/7wl4) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor SLP-50 | Descriptor: | Bromodomain-containing protein 4, ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide | Authors: | Zhang, C, Wang, C, Li, W, Zhang, Y, Xu, Y, Sun, L. | Deposit date: | 2022-01-12 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design, synthesis, and anticancer evaluation of ammosamide B with pyrroloquinoline derivatives as novel BRD4 inhibitors. Bioorg.Chem., 127, 2022
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5Z6Q
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![BU of 5z6q by Molmil](/molmil-images/mine/5z6q) | Crystal structure of AAA of Spastin | Descriptor: | CHLORIDE ION, Spastin | Authors: | Lin, Z, Wang, C, Shen, Y. | Deposit date: | 2018-01-25 | Release date: | 2018-12-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The AAA protein spastin possesses two levels of basal ATPase activity FEBS Lett., 592, 2018
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7FGD
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![BU of 7fgd by Molmil](/molmil-images/mine/7fgd) | A naturally-occurring neuraminidase-inhibitors-resistant NA from asiatic toad influenza B-like virus | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, toad NA (OSE) | Authors: | Chai, Y, Wu, Y, Gao, F. | Deposit date: | 2021-07-26 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel. Proc.Natl.Acad.Sci.USA, 119, 2022
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