6G1H
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![BU of 6g1h by Molmil](/molmil-images/mine/6g1h) | Amine Dehydrogenase from Petrotoga mobilis; open form | 分子名称: | 1,2-ETHANEDIOL, Dihydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Beloti, L, Frese, A, Mayol, O, Vergne-Vaxelaire, C, Grogan, G. | 登録日 | 2018-03-21 | 公開日 | 2019-03-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | A family of native amine dehydrogenases for the asymmetric reductive amination of ketones Nat Catal, 2019
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6GWE
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![BU of 6gwe by Molmil](/molmil-images/mine/6gwe) | Crystal structure of Thrombin bound to P2 macrocycle | 分子名称: | (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Cendron, L, Angelini, A, Kale, S.S, Bergeron-Brlek, M, Wu, Y, Heinis, C. | 登録日 | 2018-06-23 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands. Sci Adv, 5, 2019
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6ZXO
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![BU of 6zxo by Molmil](/molmil-images/mine/6zxo) | |
6DF2
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![BU of 6df2 by Molmil](/molmil-images/mine/6df2) | |
1T6C
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![BU of 1t6c by Molmil](/molmil-images/mine/1t6c) | Structural characterization of the Ppx/GppA protein family: crystal structure of the Aquifex aeolicus family member | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kristensen, O, Laurberg, M, Liljas, A, Kastrup, J.S, Gajhede, M. | 登録日 | 2004-05-06 | 公開日 | 2004-08-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structural characterization of the stringent response related exopolyphosphatase/guanosine pentaphosphate phosphohydrolase protein family Biochemistry, 43, 2004
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6DIX
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![BU of 6dix by Molmil](/molmil-images/mine/6dix) | NFVFGT segment from Human Immunoglobulin Light-Chain Variable Domain, Residues 98-103, assembled as an amyloid fibril | 分子名称: | NFVFGT Immunoglobulin Light-Chain Variable Domain | 著者 | Brumshtein, B, Esswein, S.R, Sawaya, M.R, Eisenberg, D.S. | 登録日 | 2018-05-23 | 公開日 | 2018-10-31 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis. J. Biol. Chem., 293, 2018
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2PDX
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![BU of 2pdx by Molmil](/molmil-images/mine/2pdx) | Human aldose reductase double mutant S302R-C303D complexed with zopolrestat. | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Steuber, H, Heine, A, Klebe, G. | 登録日 | 2007-04-01 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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4BJ0
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![BU of 4bj0 by Molmil](/molmil-images/mine/4bj0) | Xyloglucan binding module (CBM4-2 X2-L110F) in complex with branched xyloses | 分子名称: | CALCIUM ION, XYLANASE, alpha-D-glucopyranose, ... | 著者 | Schantz, L, Hakansson, M, Logan, D.T, Nordberg-Karlsson, E, Ohlin, M. | 登録日 | 2013-04-15 | 公開日 | 2014-04-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Carbohydrate Binding Module Recognition of Xyloglucan Defined by Polar Contacts with Branching Xyloses and Ch-Pi Interactions. Proteins, 82, 2014
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2PDB
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![BU of 2pdb by Molmil](/molmil-images/mine/2pdb) | Human aldose reductase mutant F121P complexed with zopolrestat. | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Steuber, H, Heine, A, Klebe, G. | 登録日 | 2007-03-31 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDL
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6D40
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6H5O
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2PDP
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![BU of 2pdp by Molmil](/molmil-images/mine/2pdp) | Human aldose reductase mutant S302R complexed with IDD 393. | 分子名称: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Steuber, H, Heine, A, Klebe, G. | 登録日 | 2007-04-01 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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6AVR
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![BU of 6avr by Molmil](/molmil-images/mine/6avr) | Human alpha-V beta-3 Integrin (intermediate conformation) in complex with the therapeutic antibody LM609 | 分子名称: | Fab LM609 heavy chain, Fab LM609 light chain, Integrin alpha-V, ... | 著者 | Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. | 登録日 | 2017-09-04 | 公開日 | 2017-11-01 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (35 Å) | 主引用文献 | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
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6AVQ
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![BU of 6avq by Molmil](/molmil-images/mine/6avq) | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha-V beta-3 Integrin via Steric Hindrance | 分子名称: | Integrin alpha-V, Integrin beta-3, LM609 Fab heavy chain, ... | 著者 | Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. | 登録日 | 2017-09-04 | 公開日 | 2017-11-01 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (35 Å) | 主引用文献 | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
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6D3Y
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6D3X
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1DI0
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![BU of 1di0 by Molmil](/molmil-images/mine/1di0) | CRYSTAL STRUCTURE OF LUMAZINE SYNTHASE FROM BRUCELLA ABORTUS | 分子名称: | LUMAZINE SYNTHASE, PHOSPHATE ION | 著者 | Braden, B.C, Velikovsky, C.A, Cauerhff, A.A, Polikarpov, I, Goldbaum, F.A. | 登録日 | 1999-11-28 | 公開日 | 2000-04-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Divergence in macromolecular assembly: X-ray crystallographic structure analysis of lumazine synthase from Brucella abortus. J.Mol.Biol., 297, 2000
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6DIY
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![BU of 6diy by Molmil](/molmil-images/mine/6diy) | YTFGQ segment from Human Immunoglobulin Light-Chain Variable Domain, Residues 96-100, assembled as an amyloid fibril | 分子名称: | YTFGQ segment Light-Chain Variable Domain Kappa AL09 | 著者 | Brumshtein, B, Esswein, S.R, Sawaya, M.R, Eisenberg, D.S. | 登録日 | 2018-05-24 | 公開日 | 2018-10-31 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | 主引用文献 | Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis. J. Biol. Chem., 293, 2018
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2O40
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3ZPS
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![BU of 3zps by Molmil](/molmil-images/mine/3zps) | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | 著者 | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | 登録日 | 2013-03-01 | 公開日 | 2013-11-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors. J.Med.Chem., 56, 2013
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3ZPT
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![BU of 3zpt by Molmil](/molmil-images/mine/3zpt) | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | 著者 | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | 登録日 | 2013-03-01 | 公開日 | 2013-11-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors J.Med.Chem., 56, 2013
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2PDG
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![BU of 2pdg by Molmil](/molmil-images/mine/2pdg) | Human aldose reductase with uracil-type inhibitor at 1.42A. | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID | 著者 | Steuber, H, Heine, A, Klebe, G. | 登録日 | 2007-03-31 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PD5
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![BU of 2pd5 by Molmil](/molmil-images/mine/2pd5) | Human aldose reductase mutant V47I complexed with zopolrestat | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Steuber, H, Heine, A, Klebe, G. | 登録日 | 2007-03-31 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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2PDC
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![BU of 2pdc by Molmil](/molmil-images/mine/2pdc) | Human aldose reductase mutant F121P complexed with IDD393. | 分子名称: | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Steuber, H, Heine, A, Klebe, G. | 登録日 | 2007-03-31 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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