8P6H
 
 | | Bovine naive ultralong antibody AbBLV5B8* collected at 100K | | Descriptor: | Antibody BLV5B8* heavy chain, Antibody BLV5B8* light chain | | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | | Deposit date: | 2023-05-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2023
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8P2T
 | | Bovine naive ultralong antibody AbD08* collected at 100K | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Antibody D08* heavy chain, Antibody D08* light chain, ... | | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | | Deposit date: | 2023-05-16 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The impact of chain-exchange on bovine ultralong immunoglobulins.
Acta Crystallographica Section F, 2024
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8BS8
 | | Bovine naive ultralong antibody AbD08 collected at 100K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heavy chain, Light chain | | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The impact of exchanging the light and heavy chains on the structures of bovine ultralong antibodies.
Acta Crystallogr.,Sect.F, 80, 2024
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1BNF
 | | BARNASE T70C/S92C DISULFIDE MUTANT | | Descriptor: | BARNASE | | Authors: | Clarke, J, Henrick, K, Fersht, A.R. | | Deposit date: | 1995-03-31 | | Release date: | 1995-07-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Disulfide mutants of barnase. I: Changes in stability and structure assessed by biophysical methods and X-ray crystallography.
J.Mol.Biol., 253, 1995
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1BNE
 | | BARNASE A43C/S80C DISULFIDE MUTANT | | Descriptor: | BARNASE | | Authors: | Clarke, J, Henrick, K, Fersht, A.R. | | Deposit date: | 1995-03-31 | | Release date: | 1995-07-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Disulfide mutants of barnase. I: Changes in stability and structure assessed by biophysical methods and X-ray crystallography.
J.Mol.Biol., 253, 1995
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1BNG
 | | BARNASE S85C/H102C DISULFIDE MUTANT | | Descriptor: | BARNASE | | Authors: | Clarke, J, Henrick, K, Fersht, A.R. | | Deposit date: | 1995-03-31 | | Release date: | 1995-07-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Disulfide mutants of barnase. I: Changes in stability and structure assessed by biophysical methods and X-ray crystallography.
J.Mol.Biol., 253, 1995
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8CIF
 | | Bovine naive ultralong antibody AbD08 collected at 293K | | Descriptor: | Heavy chain, Light chain | | Authors: | Clarke, J.D, Mikolajek, H, Stuart, D.I, Owens, R.J. | | Deposit date: | 2023-02-09 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
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1YQO
 | | T268A mutant heme domain of flavocytochrome P450 BM3 | | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Clark, J.P, Miles, C.S, Mowat, C.G, Walkinshaw, M.D, Reid, G.A, Daff, S.N, Chapman, S.K. | | Deposit date: | 2005-02-02 | | Release date: | 2006-01-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The role of Thr268 and Phe393 in cytochrome P450 BM3.
J.Inorg.Biochem., 100, 2006
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1YQP
 | | T268N mutant cytochrome domain of flavocytochrome P450 BM3 | | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Clark, J.P, Miles, C.S, Mowat, C.G, Walkinshaw, M.D, Reid, G.A, Daff, S.N, Chapman, S.K. | | Deposit date: | 2005-02-02 | | Release date: | 2006-01-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The role of Thr268 and Phe393 in cytochrome P450 BM3.
J.Inorg.Biochem., 100, 2006
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2NNB
 | | The Q403K mutant heme domain of flavocytochrome P450 BM3 | | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Clark, J.P, Anderson, J.L.R, Miles, C.S, Mowat, C.G, Reid, G.A, Chapman, S.K. | | Deposit date: | 2006-10-24 | | Release date: | 2007-09-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Q403K mutant heme domain of flavocytochrome P450 BM3
To be published
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6FAJ
 | | The structure of Human Methionine Adenosyltransferase II in apo state | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, S-adenosylmethionine synthase isoform type-2, ... | | Authors: | Bradley-Clarke, J, Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2017-12-15 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds
Febs J., 2020
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6GT3
 | | Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | Authors: | Borodovsky, A, Wang, Y, Deng, N, Ye, M, Stephen, T.L, Goodwin, K, Goodwin, R, Strittmatter, N, Shaw, J, Sachsenmeier, K, Clarke, J.D, Hay, C, Reimer, C, Andrews, S.P, Brown, G.A, Congreve, M, Cheng, R.K.Y, Dore, A.S, Mason, J.S, Marshall, F.H, Weir, M.P, Lyne, P, Woessner, R. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity
J Immunother Cancer, 2020
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5OD5
 | | Periplasmic binding protein CeuE complexed with a synthetic catalyst | | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide, Azotochelin, ... | | Authors: | Duhme-Klair, A.K, Raines, D.J, Clarke, J.E, Blagova, E.V, Dodson, E.J, Wilson, K.S. | | Deposit date: | 2017-07-04 | | Release date: | 2018-08-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly
Nat Catal, 2018
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8A32
 | | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 | | Descriptor: | 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ... | | Authors: | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
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5M6S
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8A31
 | | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694 | | Descriptor: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | Authors: | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
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5C2N
 | | The de novo evolutionary emergence of a symmetrical protein is shaped by folding constraints | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta propeller | | Authors: | Smock, R.G, Yadid, I, Dym, O, Clarke, J, Tawfik, D.S. | | Deposit date: | 2015-06-16 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints.
Cell, 164, 2016
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2CK2
 | | Structure of core-swapped mutant of fibronectin | | Descriptor: | ACETYL GROUP, HUMAN FIBRONECTIN | | Authors: | Ng, S.P, Billings, K.S, Ohashi, T, Allen, M.D, Best, R.B, Randles, L.G, Erickson, H.P, Clarke, J. | | Deposit date: | 2006-04-10 | | Release date: | 2007-04-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Designing an Extracellular Matrix Protein with Enhanced Mechanical Stability
Proc.Natl.Acad.Sci.USA, 104, 2007
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5C2M
 | | The de novo evolutionary emergence of a symmetrical protein is shaped by folding constraints | | Descriptor: | Predicted protein | | Authors: | Smock, R.G, Yadid, I, Dym, O, Clarke, J, Tawfik, D.S. | | Deposit date: | 2015-06-16 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints.
Cell, 164, 2016
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6STJ
 | | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs | | Descriptor: | Cystatin domain-containing protein, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | | Deposit date: | 2019-09-10 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*.
Chembiochem, 22, 2021
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6ST2
 | | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs | | Descriptor: | Affimer AF6, Bcl-2-like protein 1, SULFATE ION | | Authors: | Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | | Deposit date: | 2019-09-09 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*.
Chembiochem, 22, 2021
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4P86
 | | Structure of PyrR protein from Bacillus subtilis with GMP | | Descriptor: | Bifunctional protein PyrR, GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE | | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | | Deposit date: | 2014-03-30 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
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4P81
 | | Structure of ancestral PyrR protein (AncORANGEPyrR) | | Descriptor: | Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION | | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | | Deposit date: | 2014-03-29 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
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4P83
 | | Structure of engineered PyrR protein (PURPLE PyrR) | | Descriptor: | Engineered PyrR protein (Purple), URIDINE-5'-MONOPHOSPHATE | | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | | Deposit date: | 2014-03-30 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
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4P3K
 | | Structure of ancestral PyrR protein (PLUMPyrR) | | Descriptor: | Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ... | | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | | Deposit date: | 2014-03-08 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
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