3TS1
 
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8ZP6
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7NFU
 | | Crystal structure of C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc | | Descriptor: | GLYCEROL, Nucleoid occlusion protein, SULFATE ION | | Authors: | Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K. | | Deposit date: | 2021-02-07 | | Release date: | 2021-02-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc.
Mol.Cell, 81, 2021
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7NG0
 | | Crystal structure of N- and C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc | | Descriptor: | Nucleoid occlusion protein, SULFATE ION | | Authors: | Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K. | | Deposit date: | 2021-02-08 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc.
Mol.Cell, 81, 2021
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2IA6
 | | Bypass of Major Benzopyrene-dG Adduct by Y-Family DNA Polymerase with Unique Structural Gap | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*A)-3', ... | | Authors: | Bauer, J, Ling, H, Sayer, J.M, Xing, G, Yagi, H, Jerina, D.M. | | Deposit date: | 2006-09-07 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structural gap in Dpo4 supports mutagenic bypass of a major benzo[a]pyrene dG adduct in DNA through template misalignment.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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9BA0
 | | Structural mechanism of CB1R binding to peripheral and biased inverse agonists | | Descriptor: | CNb36, Cannabinoid receptor 1,Glycogen synthase, N-(N-{(E)-[(4S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl][4-(trifluoromethyl)benzene-1-sulfonamido]methylidene}carbamimidoyl)acetamide | | Authors: | Kumari, P, Dvoracsko, S, Enos, M.D, Ramesh, K, Lim, D, Hassan, S.A, Kunos, G, Cinar, R, Iyer, M.R, Rosenbaum, D.M. | | Deposit date: | 2024-04-03 | | Release date: | 2024-11-20 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural mechanism of CB 1 R binding to peripheral and biased inverse agonists.
Nat Commun, 15, 2024
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2I5J
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with DHBNH, an RNASE H inhibitor | | Descriptor: | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE, MAGNESIUM ION, Reverse transcriptase/ribonuclease H P51 subunit, ... | | Authors: | Himmel, D.M, Sarafianos, S.G, Knight, J.L, Levy, R.M, Arnold, E. | | Deposit date: | 2006-08-24 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site.
Acs Chem.Biol., 1, 2006
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1W5Z
 | | AGAO covalent complex with Benzylhydrazine | | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | | Authors: | Duff, A.P, Trambaiolo, D.M, Langley, D.B, Juda, G.A, Shepard, E.M, Dooley, D.M, Freeman, H.C, Guss, J.M. | | Deposit date: | 2004-08-11 | | Release date: | 2005-12-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Complexes of the Copper-Containing Amine Oxidase from Arthrobacter Globiformis with the Inhibitors Benzylhydrazine and Tranylcypromine.
Acta Crystallogr.,Sect.F, 64, 2008
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1W4N
 | | AGAO covalent complex with Tranylcypromine | | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | | Authors: | Duff, A.P, Trambaiolo, D.M, Langley, D.B, Juda, G.A, Shepard, E.M, Dooley, D.M, Freeman, H.C, Guss, J.M. | | Deposit date: | 2004-07-27 | | Release date: | 2005-12-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Complexes of the Copper-Containing Amine Oxidase from Arthrobacter Globiformis with the Inhibitors Benzylhydrazine and Tranylcypromine.
Acta Crystallogr.,Sect.F, 64, 2008
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1W2Z
 | | PSAO and Xenon | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMINE OXIDASE, COPPER CONTAINING, ... | | Authors: | Duff, A.P, Trambaiolo, D.M, Cohen, A.E, Ellis, P.J, Juda, G.A, Shepard, E.M, Langley, D.B, Dooley, D.M, Freeman, H.C, Guss, J.M. | | Deposit date: | 2004-07-11 | | Release date: | 2004-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Using Xenon as a Probe for Dioxygen-Binding Sites in Copper Amine Oxidases.
J.Mol.Biol., 344, 2004
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4TS1
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2CHA
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5DO7
 | | Crystal Structure of the Human Sterol Transporter ABCG5/ABCG8 | | Descriptor: | ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8 | | Authors: | Lee, J.-Y, Kinch, L.N, Borek, D.M, Urbatsch, I.L, Xie, X.-S, Grishin, N.V, Cohen, J.C, Otwinowski, Z, Hobbs, H.H, Rosenbaum, D.M. | | Deposit date: | 2015-09-10 | | Release date: | 2016-05-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.93 Å) | | Cite: | Crystal structure of the human sterol transporter ABCG5/ABCG8.
Nature, 533, 2016
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1MS6
 | | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | | Descriptor: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | | Authors: | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2002-09-19 | | Release date: | 2003-04-22 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors
J.Med.Chem., 45, 2002
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1M7Q
 | | Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | | Descriptor: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION | | Authors: | Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. | | Deposit date: | 2002-07-22 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 13, 2003
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1XLH
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | ALUMINUM ION, D-XYLOSE ISOMERASE | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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1XLG
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | ALUMINUM ION, D-XYLOSE ISOMERASE, MAGNESIUM ION, ... | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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1XLE
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | D-XYLOSE ISOMERASE, MANGANESE (II) ION | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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2R9M
 | | Cathepsin S complexed with Compound 15 | | Descriptor: | Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
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2R9O
 | | Cathepsin S complexed with Compound 8 | | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
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2R9N
 | | Cathepsin S complexed with Compound 26 | | Descriptor: | Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
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1XLD
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | D-XYLOSE ISOMERASE, MANGANESE (II) ION, Xylitol | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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1XLB
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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1XLJ
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | D-XYLOSE ISOMERASE, MANGANESE (II) ION, Xylitol | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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1XLK
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | D-XYLOSE ISOMERASE, MANGANESE (II) ION | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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