7CVR
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![BU of 7cvr by Molmil](/molmil-images/mine/7cvr) | Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine | Descriptor: | (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Sugimoto, H, Shoji, O. | Deposit date: | 2020-08-26 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine at 1.60 Angstrom Resolution To Be Published
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6QWU
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![BU of 6qwu by Molmil](/molmil-images/mine/6qwu) | 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 5.5 with Mn2+ and CoA. | Descriptor: | COENZYME A, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2019-03-06 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
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6H11
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![BU of 6h11 by Molmil](/molmil-images/mine/6h11) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.516 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028 To be published
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6QXQ
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5V0W
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6H0X
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![BU of 6h0x by Molmil](/molmil-images/mine/6h0x) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA040 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA040 To be published
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6H0Y
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![BU of 6h0y by Molmil](/molmil-images/mine/6h0y) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS022 | Descriptor: | (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide, 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.212 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS022 To be published
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6QYG
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6H0Z
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![BU of 6h0z by Molmil](/molmil-images/mine/6h0z) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067 To be published
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6RCX
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![BU of 6rcx by Molmil](/molmil-images/mine/6rcx) | Mycobacterial 4'-phosphopantetheinyl transferase PptAb in complex with the ACP domain of PpsC. | Descriptor: | CACODYLATE ION, COENZYME A, MANGANESE (II) ION, ... | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2019-04-12 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
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6GA8
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![BU of 6ga8 by Molmil](/molmil-images/mine/6ga8) | BACTERIORHODOPSIN, 330 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6GAH
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![BU of 6gah by Molmil](/molmil-images/mine/6gah) | BACTERIORHODOPSIN, 680 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6GA7
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![BU of 6ga7 by Molmil](/molmil-images/mine/6ga7) | BACTERIORHODOPSIN, 240FS STATE, REAL-SPACE REFINED AGAINST 10% EXTRAPOLATED MAP | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6GAI
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![BU of 6gai by Molmil](/molmil-images/mine/6gai) | BACTERIORHODOPSIN, 740 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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5V0X
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6QYF
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2OGY
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![BU of 2ogy by Molmil](/molmil-images/mine/2ogy) | Asn199Ala Mutant of the 5-methyltetrahydrofolate corrinoid/iron sulfur protein methyltransferase complexed with methyltetrahydrofolate to 2.3 Angstrom resolution | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate corrinoid/iron sulfur protein methyltransferase, CALCIUM ION | Authors: | Doukov, T.I, Drennan, C.L, Hemmi, H, Ragsdale, S.W. | Deposit date: | 2007-01-09 | Release date: | 2007-01-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and kinetic evidence for an extended hydrogen-bonding network in catalysis of methyl group transfer. Role of an active site asparagine residue in activation of methyl transfer by methyltransferases. J.Biol.Chem., 282, 2007
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3KXH
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![BU of 3kxh by Molmil](/molmil-images/mine/3kxh) | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66) | Descriptor: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
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3KXN
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![BU of 3kxn by Molmil](/molmil-images/mine/3kxn) | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88) | Descriptor: | 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
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6IYG
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![BU of 6iyg by Molmil](/molmil-images/mine/6iyg) | The Structure of Maltooligosaccharide-forming Amylase from Pseudomonas saccharophila STB07 with Maltotetraose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glucan 1,4-alpha-maltotetraohydrolase, ... | Authors: | Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H. | Deposit date: | 2018-12-15 | Release date: | 2019-12-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Maltotetraose-forming amylase from Pseudomonas saccharophila STB07 To Be Published
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6QXR
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![BU of 6qxr by Molmil](/molmil-images/mine/6qxr) | 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mn2+ and CoA. | Descriptor: | CALCIUM ION, COENZYME A, MANGANESE (II) ION, ... | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2019-03-07 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
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1I30
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![BU of 1i30 by Molmil](/molmil-images/mine/1i30) | E. Coli Enoyl Reductase +NAD+SB385826 | Descriptor: | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | Deposit date: | 2001-02-12 | Release date: | 2002-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents. Bioorg.Med.Chem.Lett., 11, 2001
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5EXN
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![BU of 5exn by Molmil](/molmil-images/mine/5exn) | FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | Authors: | Sheriff, S. | Deposit date: | 2015-11-23 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group Bioorg.Med.Chem., 24, 2016
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6SYS
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![BU of 6sys by Molmil](/molmil-images/mine/6sys) | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 | Descriptor: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2019-10-01 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 To Be Published
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6SX9
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![BU of 6sx9 by Molmil](/molmil-images/mine/6sx9) | Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | Descriptor: | 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2019-09-25 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide To Be Published
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