2YOX
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![BU of 2yox by Molmil](/molmil-images/mine/2yox) | Bacillus amyloliquefaciens CBM33 in complex with Cu(I) after photoreduction | 分子名称: | COPPER (I) ION, RBAM17540 | 著者 | Hemsworth, G.R, Taylor, E.J, Kim, R.Q, Lewis, S.J, Turkenburg, J.P, Davies, G.J, Walton, P.H. | 登録日 | 2012-10-29 | 公開日 | 2013-04-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Copper Active Site of Cbm33 Polysaccharide Oxygenases. J.Am.Chem.Soc., 135, 2013
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2VR4
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![BU of 2vr4 by Molmil](/molmil-images/mine/2vr4) | Transition-state mimicry in mannoside hydrolysis: characterisation of twenty six inhibitors and insight into binding from linear free energy relationships and 3-D structure | 分子名称: | (2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | 著者 | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | 登録日 | 2008-03-25 | 公開日 | 2008-04-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol., 4, 2008
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2Y6R
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![BU of 2y6r by Molmil](/molmil-images/mine/2y6r) | Structure of the TetX monooxygenase in complex with the substrate 7- chlortetracycline | 分子名称: | 7-CHLOROTETRACYCLINE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | 著者 | Volkers, G, Palm, G.J, Weiss, M.S, Wright, G.D, Hinrichs, W. | 登録日 | 2011-01-25 | 公開日 | 2011-03-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural Basis for a New Tetracycline Resistance Mechanism Relying on the Tetx Monooxygenase. FEBS Lett., 585, 2011
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2Y6Q
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![BU of 2y6q by Molmil](/molmil-images/mine/2y6q) | Structure of the TetX monooxygenase in complex with the substrate 7- Iodtetracycline | 分子名称: | 7-IODOTETRACYCLINE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | 著者 | Volkers, G, Palm, G.J, Weiss, M.S, Wright, G.D, Hinrichs, W. | 登録日 | 2011-01-25 | 公開日 | 2011-03-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural Basis for a New Tetracycline Resistance Mechanism Relying on the Tetx Monooxygenase. FEBS Lett., 585, 2011
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2WVU
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![BU of 2wvu by Molmil](/molmil-images/mine/2wvu) | Crystal structure of a Michaelis complex of alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron with the synthetic substrate 4- nitrophenyl-alpha-L-fucose | 分子名称: | 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, ALPHA-L-FUCOSIDASE, SULFATE ION | 著者 | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | 登録日 | 2009-10-20 | 公開日 | 2010-02-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach J.Am.Chem.Soc., 132, 2010
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8B2G
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![BU of 8b2g by Molmil](/molmil-images/mine/8b2g) | SH3-like domain from Penicillium virgatum muramidase | 分子名称: | 1,2-ETHANEDIOL, SH3b domain-containing protein, ZINC ION | 著者 | Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S. | 登録日 | 2022-09-13 | 公開日 | 2023-07-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases. Acta Crystallogr D Struct Biol, 79, 2023
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2WK2
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![BU of 2wk2 by Molmil](/molmil-images/mine/2wk2) | Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline dithioamide. | 分子名称: | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose-(1-4)-2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CHITINASE A, ... | 著者 | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | 登録日 | 2009-06-04 | 公開日 | 2010-03-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines. Angew.Chem.Int.Ed.Engl., 49, 2010
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8B2F
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![BU of 8b2f by Molmil](/molmil-images/mine/8b2f) | SH3-like cell wall binding domain of the GH24 family muramidase from Trichophaea saccata in complex with triglycine | 分子名称: | 1,2-ETHANEDIOL, GLY-GLY-GLY, SH3-like cell wall binding domain-containing protein, ... | 著者 | Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S. | 登録日 | 2022-09-13 | 公開日 | 2023-07-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.183 Å) | 主引用文献 | Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases. Acta Crystallogr D Struct Biol, 79, 2023
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8B2E
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![BU of 8b2e by Molmil](/molmil-images/mine/8b2e) | Muramidase from Kionochaeta sp natural catalytic core | 分子名称: | CADMIUM ION, Muramidase | 著者 | Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S. | 登録日 | 2022-09-13 | 公開日 | 2023-07-19 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases. Acta Crystallogr D Struct Biol, 79, 2023
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8B2H
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![BU of 8b2h by Molmil](/molmil-images/mine/8b2h) | Muramidase from Thermothielavioides terrestris, catalytic domain | 分子名称: | 1,2-ETHANEDIOL, SH3b domain-containing protein, ZINC ION | 著者 | Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S. | 登録日 | 2022-09-13 | 公開日 | 2023-07-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases. Acta Crystallogr D Struct Biol, 79, 2023
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7OST
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![BU of 7ost by Molmil](/molmil-images/mine/7ost) | Rat HIP1R ANTH domain | 分子名称: | Huntingtin-interacting protein 1-related, MAGNESIUM ION, SULFATE ION | 著者 | Ford, M.G.J, McMahon, H.T, Evans, P.R. | 登録日 | 2021-06-09 | 公開日 | 2021-07-21 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure of the N-terminal ANTH domain of rat HIP1R To Be Published
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8B2S
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![BU of 8b2s by Molmil](/molmil-images/mine/8b2s) | GH24 family muramidase from Trichophaea saccata with an SH3-like cell wall binding domain | 分子名称: | GH24 family muramidase, POTASSIUM ION | 著者 | Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S. | 登録日 | 2022-09-14 | 公開日 | 2023-07-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases. Acta Crystallogr D Struct Biol, 79, 2023
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2WM0
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![BU of 2wm0 by Molmil](/molmil-images/mine/2wm0) | Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline thioamide. | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | 著者 | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | 登録日 | 2009-06-29 | 公開日 | 2010-03-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines. Angew.Chem.Int.Ed.Engl., 49, 2010
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2WYH
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![BU of 2wyh by Molmil](/molmil-images/mine/2wyh) | Structure of the Streptococcus pyogenes family GH38 alpha-mannosidase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-MANNOSIDASE, GLYCEROL, ... | 著者 | Suits, M.D.L, Zhu, Y, Taylor, E.J, Zechel, D.L, Gilbert, H.J, Davies, G.J. | 登録日 | 2009-11-16 | 公開日 | 2010-02-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure and Kinetic Investigation of Streptococcus Pyogenes Family Gh38 Alpha-Mannosidase Plos One, 5, 2010
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2W66
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![BU of 2w66 by Molmil](/molmil-images/mine/2w66) | BtGH84 in complex with HQ602 | 分子名称: | CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ... | 著者 | He, Y, Davies, G.J. | 登録日 | 2008-12-17 | 公開日 | 2009-04-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
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3BIA
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![BU of 3bia by Molmil](/molmil-images/mine/3bia) | Tim-4 in complex with sodium potassium tartrate | 分子名称: | L(+)-TARTARIC ACID, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4 | 著者 | Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M. | 登録日 | 2007-11-30 | 公開日 | 2008-01-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds. Immunity, 27, 2007
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7ONS
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![BU of 7ons by Molmil](/molmil-images/mine/7ons) | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | 分子名称: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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7ONT
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![BU of 7ont by Molmil](/molmil-images/mine/7ont) | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | 分子名称: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.853 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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2WC3
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![BU of 2wc3 by Molmil](/molmil-images/mine/2wc3) | Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-8-epi-castanospermine | 分子名称: | (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, BETA-GLUCOSIDASE A | 著者 | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | 登録日 | 2009-03-08 | 公開日 | 2009-04-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
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2VQU
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![BU of 2vqu by Molmil](/molmil-images/mine/2vqu) | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | 分子名称: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | 著者 | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | 登録日 | 2008-03-18 | 公開日 | 2008-04-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol., 4, 2008
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7ONR
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![BU of 7onr by Molmil](/molmil-images/mine/7onr) | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | 分子名称: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
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2WHM
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![BU of 2whm by Molmil](/molmil-images/mine/2whm) | Cellvibrio japonicus Man26A E121A and E320G double mutant in complex with mannobiose | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA MANNANASE, MAN26A, ... | 著者 | Durcos, V.M.A, Davies, G.J, Flint, J.E, Gilbert, H.J. | 登録日 | 2009-05-05 | 公開日 | 2009-05-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates. Biochemistry, 48, 2009
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2WLY
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![BU of 2wly by Molmil](/molmil-images/mine/2wly) | Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline. | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | 著者 | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | 登録日 | 2009-06-29 | 公開日 | 2010-03-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Chitinase inhibition by chitobiose and chitotriose thiazolines. Angew. Chem. Int. Ed. Engl., 49, 2010
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7P76
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![BU of 7p76 by Molmil](/molmil-images/mine/7p76) | Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions, Schiff base complex with cinnamaldehyde | 分子名称: | (2E)-3-phenylprop-2-enal, Deoxyribose-phosphate aldolase, GLYCEROL | 著者 | Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J. | 登録日 | 2021-07-19 | 公開日 | 2021-10-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution. Acs Catalysis, 11, 2021
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7P75
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![BU of 7p75 by Molmil](/molmil-images/mine/7p75) | |