5KK7
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![BU of 5kk7 by Molmil](/molmil-images/mine/5kk7) | Crystal structure of the class I human endoplasmic reticulum 1,2-alpha-mannosidase T688A mutant and Thio-disaccharide substrate analog complex | Descriptor: | 1,4-BUTANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, ... | Authors: | Karaveg, K, Xiang, Y, Moremen, K.W. | Deposit date: | 2016-06-21 | Release date: | 2017-05-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7324 Å) | Cite: | Substrate recognition and catalysis by GH47 alpha-mannosidases involved in Asn-linked glycan maturation in the mammalian secretory pathway. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5L3B
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![BU of 5l3b by Molmil](/molmil-images/mine/5l3b) | Human LSD1/CoREST: LSD1 D556G mutation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 | Authors: | Pilotto, S, Speranzini, V, Marabelli, C. | Deposit date: | 2016-04-06 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum.Mol.Genet., 25, 2016
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1T2V
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![BU of 1t2v by Molmil](/molmil-images/mine/1t2v) | Structural basis of phospho-peptide recognition by the BRCT domain of BRCA1, structure with phosphopeptide | Descriptor: | BRCTide-7PS, Breast cancer type 1 susceptibility protein | Authors: | Williams, R.S, Lee, M.S, Hau, D.D, Glover, J.N.M. | Deposit date: | 2004-04-22 | Release date: | 2004-05-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of phosphopeptide recognition by the BRCT domain of BRCA1 Nat.Struct.Mol.Biol., 11, 2004
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4Z96
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![BU of 4z96 by Molmil](/molmil-images/mine/4z96) | Crystal structure of DNMT1 in complex with USP7 | Descriptor: | DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Zhang, Z.M, Song, J. | Deposit date: | 2015-04-09 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of DNMT1 in complex with USP7 To Be Published
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4XV2
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1BVE
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![BU of 1bve by Molmil](/molmil-images/mine/1bve) | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR, 28 STRUCTURES | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | Deposit date: | 1996-01-16 | Release date: | 1996-08-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy. Protein Sci., 5, 1996
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3IAK
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![BU of 3iak by Molmil](/molmil-images/mine/3iak) | Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, MAGNESIUM ION, ZINC ION, ... | Authors: | Cheng, R.K.Y, Crawley, L, Barker, J, Wood, M, Felicetti, B, Whittaker, M. | Deposit date: | 2009-07-14 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. To be Published
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1BX6
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![BU of 1bx6 by Molmil](/molmil-images/mine/1bx6) | CRYSTAL STRUCTURE OF THE POTENT NATURAL PRODUCT INHIBITOR BALANOL IN COMPLEX WITH THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE | Descriptor: | BALANOL, CAMP-DEPENDENT PROTEIN KINASE | Authors: | Narayana, N, Xuong, N.-H, Ten Eyck, L.F, Taylor, S.S. | Deposit date: | 1998-10-13 | Release date: | 1999-04-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of cAMP-dependent protein kinase. Biochemistry, 38, 1999
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1CDN
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1BVG
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![BU of 1bvg by Molmil](/molmil-images/mine/1bvg) | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR MINIMIZED AVERAGE STRUCTURE | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | Deposit date: | 1996-01-16 | Release date: | 1996-08-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy. Protein Sci., 5, 1996
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5LA4
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![BU of 5la4 by Molmil](/molmil-images/mine/5la4) | Crystal structure of apo human proheparanase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase, ... | Authors: | Wu, L, Jin, Y, Davies, G.J. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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5L3E
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![BU of 5l3e by Molmil](/molmil-images/mine/5l3e) | LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine, ... | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | Deposit date: | 2016-04-10 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
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3HPH
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![BU of 3hph by Molmil](/molmil-images/mine/3hph) | Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD | Descriptor: | GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ... | Authors: | Hare, S, Wang, J, Cherepanov, P. | Deposit date: | 2009-06-04 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural basis for functional tetramerization of lentiviral integrase Plos Pathog., 5, 2009
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4XA5
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![BU of 4xa5 by Molmil](/molmil-images/mine/4xa5) | Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating A and an incoming 8-oxo-dGTP | Descriptor: | 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ACETATE ION, DNA polymerase lambda, ... | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | Deposit date: | 2014-12-12 | Release date: | 2016-02-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nucleotide binding interactions modulate dNTP selectivity and facilitate 8-oxo-dGTP incorporation by DNA polymerase lambda. Nucleic Acids Res., 43, 2015
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1BOC
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![BU of 1boc by Molmil](/molmil-images/mine/1boc) | THE SOLUTION STRUCTURES OF MUTANT CALBINDIN D9K'S, AS DETERMINED BY NMR, SHOW THAT THE CALCIUM BINDING SITE CAN ADOPT DIFFERENT FOLDS | Descriptor: | CALBINDIN D9K | Authors: | Johansson, C, Ullner, M, Drakenberg, T. | Deposit date: | 1993-04-23 | Release date: | 1993-10-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structures of mutant calbindin D9k's, as determined by NMR, show that the calcium-binding site can adopt different folds. Biochemistry, 32, 1993
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5VDR
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![BU of 5vdr by Molmil](/molmil-images/mine/5vdr) | |
1BJ6
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![BU of 1bj6 by Molmil](/molmil-images/mine/1bj6) | 1H NMR OF (12-53) NCP7/D(ACGCC) COMPLEX, 10 STRUCTURES | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*C)-3'), NUCLEOCAPSID PROTEIN 7, ZINC ION | Authors: | Demene, H, Morellet, N, Teilleux, V, Huynh-Dinh, T, De Rocquigny, H, Fournie-Zaluski, M.C, Roques, B.P. | Deposit date: | 1998-07-03 | Release date: | 1999-02-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the complex between the HIV-1 nucleocapsid protein NCp7 and the single-stranded pentanucleotide d(ACGCC). J.Mol.Biol., 283, 1998
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5VEQ
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![BU of 5veq by Molmil](/molmil-images/mine/5veq) | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2Y | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-05 | Release date: | 2017-11-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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1CA8
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![BU of 1ca8 by Molmil](/molmil-images/mine/1ca8) | Thrombin inhibitors with rigid tripeptidyl aldehydes | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-04-27 | Release date: | 1999-04-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes Biochemistry, 37, 1998
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4XDD
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![BU of 4xdd by Molmil](/molmil-images/mine/4xdd) | Apo [FeFe]-Hydrogenase CpI | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | Authors: | Esselborn, J, Hofmann, E, Kurisu, G, Happe, T. | Deposit date: | 2014-12-19 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | A structural view of synthetic cofactor integration into [FeFe]-hydrogenases. Chem Sci, 7, 2016
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5L7F
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![BU of 5l7f by Molmil](/molmil-images/mine/5l7f) | Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | Authors: | Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | Deposit date: | 2016-06-03 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes. Bioconjug.Chem., 27, 2016
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5VMU
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![BU of 5vmu by Molmil](/molmil-images/mine/5vmu) | Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a double CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS) | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*(5CM)P*GP*(5CM)P*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ... | Authors: | Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E. | Deposit date: | 2017-04-28 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.346 Å) | Cite: | CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso. Biochemistry, 57, 2018
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4XH7
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![BU of 4xh7 by Molmil](/molmil-images/mine/4xh7) | Crystal structure of MUPP1 PDZ4 | Descriptor: | IMIDAZOLE, Multiple PDZ domain protein | Authors: | Liu, Z, Zhu, H, Liu, W. | Deposit date: | 2015-01-05 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Biochemical and structural characterization of MUPP1-PDZ4 domain from Mus musculus. Acta Biochim.Biophys.Sin., 47, 2015
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5VMZ
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![BU of 5vmz by Molmil](/molmil-images/mine/5vmz) | Kaiso (ZBTB33) E535Q mutant zinc finger DNA binding domain in complex with a double CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS) | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*(5CM)P*GP*(5CM)P*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ... | Authors: | Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E. | Deposit date: | 2017-04-28 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.319 Å) | Cite: | CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso. Biochemistry, 57, 2018
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1BKX
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![BU of 1bkx by Molmil](/molmil-images/mine/1bkx) | A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY | Descriptor: | ADENOSINE MONOPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE | Authors: | Narayana, N, Cox, S, Xuong, N, Ten Eyck, L.F, Taylor, S.S. | Deposit date: | 1997-07-01 | Release date: | 1998-03-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A binary complex of the catalytic subunit of cAMP-dependent protein kinase and adenosine further defines conformational flexibility. Structure, 5, 1997
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