6ZT3
 
 | | N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | | Deposit date: | 2020-07-17 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT4
 | | Pentapeptide repeat protein MfpA from Mycobacterium smegmatis | | Descriptor: | 1,2-ETHANEDIOL, Pentapeptide repeat protein MfpA | | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | | Deposit date: | 2020-07-17 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic.
Proc.Natl.Acad.Sci.USA, 118, 2021
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2R4S
 | | Crystal structure of the human beta2 adrenoceptor | | Descriptor: | Beta-2 adrenergic receptor, antibody for beta2 adrenoceptor, heavy chain, ... | | Authors: | Rasmussen, S.G.F, Choi, H.J, Rosenbaum, D.M, Kobilka, T.S, Thian, F.S, Edwards, P.C, Burghammer, M, Ratnala, V.R, Sanishvili, R, Fischetti, R.F, Schertler, G.F, Weis, W.I, Kobilka, B.K. | | Deposit date: | 2007-08-31 | | Release date: | 2007-11-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of the human beta2 adrenergic G-protein-coupled receptor.
Nature, 450, 2007
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3BYP
 | | Mode of Action of a Putative Zinc Transporter CzrB | | Descriptor: | CzrB protein, SULFATE ION | | Authors: | Cherezov, V, Srinivasan, V, Szebenyi, D.M.E, Caffrey, M. | | Deposit date: | 2008-01-16 | | Release date: | 2008-09-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights into the Mode of Action of a Putative Zinc Transporter CzrB in Thermus thermophilus
Structure, 16, 2008
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2QC7
 | | Crystal structure of the protein-disulfide isomerase related chaperone ERp29 | | Descriptor: | Endoplasmic reticulum protein ERp29 | | Authors: | Barak, N.N, Sevvana, M, Neumann, P, Malesevic, M, Naumann, K, Fischer, G, Sheldrick, G.M, Stubbs, M.T, Ferrari, D.M. | | Deposit date: | 2007-06-19 | | Release date: | 2008-06-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure and functional analysis of the protein disulfide isomerase-related protein ERp29.
J.Mol.Biol., 385, 2009
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8QA9
 | | Crystal structure of the RK2 plasmid encoded co-complex of the C-terminally truncated transcriptional repressor protein KorB complexed with the partner repressor protein KorA bound to OA-DNA | | Descriptor: | DNA (5'-D(*TP*GP*TP*TP*TP*AP*GP*CP*TP*AP*AP*AP*CP*A)-3'), SULFATE ION, Transcriptional repressor protein KorB, ... | | Authors: | McLean, T.C, Mundy, J.E.A, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2023-08-22 | | Release date: | 2024-02-21 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | KorB switching from DNA-sliding clamp to repressor mediates long-range gene silencing in a multi-drug resistance plasmid.
Nat Microbiol, 10, 2025
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8QA8
 | | Crystal structure of the C-terminally truncated transcriptional repressor protein KorB from the RK2 plasmid complexed with CTP-gamma-S | | Descriptor: | CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, Transcriptional repressor protein KorB | | Authors: | McLean, T.C, Mundy, J.E.A, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2023-08-22 | | Release date: | 2024-02-21 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | KorB switching from DNA-sliding clamp to repressor mediates long-range gene silencing in a multi-drug resistance plasmid.
Nat Microbiol, 10, 2025
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3C91
 | | Thermoplasma acidophilum 20S proteasome with an open gate | | Descriptor: | Proteasome subunit alpha, Proteasome subunit beta | | Authors: | Rabl, J, Smith, D.M, Yu, Y, Chang, S.C, Goldberg, A.L, Cheng, Y. | | Deposit date: | 2008-02-14 | | Release date: | 2008-08-05 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Mechanism of gate opening in the 20S proteasome by the proteasomal ATPases.
Mol.Cell, 30, 2008
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8P2I
 | | Cryo-EM structure of Pyrococcus furiosus apo form RNA polymerase contracted clamp conformation with Spt4/5 | | Descriptor: | DNA-directed RNA polymerase subunit Rpo10, DNA-directed RNA polymerase subunit Rpo11, DNA-directed RNA polymerase subunit Rpo12, ... | | Authors: | Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D. | | Deposit date: | 2023-05-16 | | Release date: | 2024-04-24 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
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6AMM
 | | CAT192 Fab Insertion Mutant H0/L1 | | Descriptor: | CAT192 Fab Heavy chain, CAT192 Fab Light chain | | Authors: | Lord, D.M, Wei, R.R. | | Deposit date: | 2017-08-10 | | Release date: | 2018-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
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8QFB
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6AMJ
 | | CAT192 Fab Wild Type | | Descriptor: | CAT192 Fab heavy chain, CAT192 Fab light chain, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lord, D.M, Wei, R.R. | | Deposit date: | 2017-08-09 | | Release date: | 2018-01-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
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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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6ANP
 | | CAT192 Fab Insertion Mutant H5/L0 | | Descriptor: | CAT192 Fab Heavy chain, CAT192 Fab Light chain | | Authors: | Lord, D.M, Wei, R.R. | | Deposit date: | 2017-08-14 | | Release date: | 2018-01-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
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6AO0
 | | CAT192 Fab Insertion Mutant H2/L2 | | Descriptor: | CAT192 Fab Heavy chain, CAT192 Fab Light chain, SULFATE ION | | Authors: | Lord, D.M, Wei, R.R. | | Deposit date: | 2017-08-15 | | Release date: | 2018-01-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
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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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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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1OKK
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5W8H
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11 | | Descriptor: | 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Lukacs, C.M, Dranow, D.M. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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2C0G
 | | Structure of PDI-related Chaperone, Wind mutant-Y53S | | Descriptor: | CHLORIDE ION, SODIUM ION, WINDBEUTEL PROTEIN | | Authors: | Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M. | | Deposit date: | 2005-09-02 | | Release date: | 2006-08-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
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2C1Y
 | | Structure of PDI-related Chaperone, Wind mutant-Y55K | | Descriptor: | WINDBEUTEL PROTEIN | | Authors: | Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M. | | Deposit date: | 2005-09-22 | | Release date: | 2006-08-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
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2C0E
 | | Structure of PDI-related Chaperone, Wind with his-tag on C-terminus. | | Descriptor: | WINDBEUTEL PROTEIN | | Authors: | Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M. | | Deposit date: | 2005-09-01 | | Release date: | 2006-08-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
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2C0F
 | | Structure of Wind Y53F mutant | | Descriptor: | WINDBEUTEL PROTEIN | | Authors: | Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M. | | Deposit date: | 2005-09-02 | | Release date: | 2006-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
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