6ZEW
 
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 7-methoxy-1~{H}-benzotriazole, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF4
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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1KQH
 | | NMR Solution Structure of the cis Pro30 Isomer of ACTX-Hi:OB4219 | | Descriptor: | ACTX-Hi:OB4219 | | Authors: | Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J. | | Deposit date: | 2002-01-05 | | Release date: | 2002-02-06 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin
from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within
its four disulfide bonds
Biochemistry, 41, 2002
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1KQI
 | | NMR Solution Structure of the trans Pro30 Isomer of ACTX-Hi:OB4219 | | Descriptor: | ACTX-Hi:OB4219 | | Authors: | Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J. | | Deposit date: | 2002-01-06 | | Release date: | 2002-02-06 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin
from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within
its four disulfide bonds
Biochemistry, 41, 2002
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6ZF7
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF0
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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5CAW
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5CBW
 | | Human Cyclophilin D Complexed with Inhibitor. | | Descriptor: | FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | Deposit date: | 2015-07-01 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human Cyclophilin D Complexed with Inhibitor.
To Be Published
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6JLI
 | | Crystal structure of CTLD7 domain of human PLA2R | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Secretory phospholipase A2 receptor | | Authors: | Yu, B, Hu, Z, Kong, D, Cheng, C, He, Y. | | Deposit date: | 2019-03-06 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.778 Å) | | Cite: | Crystal structure of the CTLD7 domain of human M-type phospholipase A2 receptor.
J.Struct.Biol., 207, 2019
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6ZD2
 | | Structure of apo telomerase from Candida Tropicalis truncated from C-terminal domain | | Descriptor: | SODIUM ION, Telomerase reverse transcriptase | | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | | Deposit date: | 2020-06-13 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
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6JKH
 | | The NAD+-bound form of human NSDHL | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating | | Authors: | Kim, D, Lee, S.J, Lee, B. | | Deposit date: | 2019-02-28 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity.
Cell.Mol.Life Sci., 78, 2021
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5CFU
 | | Crystal Structure of ANT(2")-Ia in complex with adenylyl-2"-tobramycin | | Descriptor: | 1,4-BUTANEDIOL, Aminoglycoside Nucleotidyltransferase (2")-Ia, MANGANESE (II) ION, ... | | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | | Deposit date: | 2015-07-08 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study.
Acs Chem.Biol., 2020
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1K21
 | | HUMAN THROMBIN-INHIBITOR COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | | Authors: | Stubbs, M.T, Musil, D. | | Deposit date: | 2001-09-26 | | Release date: | 2002-05-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
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6ZDQ
 | | Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA | | Descriptor: | RNA, Telomerase reverse transcriptase | | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | | Deposit date: | 2020-06-15 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
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6ZD1
 | | Structure of apo telomerase from Candida Tropicalis | | Descriptor: | Telomerase reverse transcriptase | | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | | Deposit date: | 2020-06-13 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
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6ZDU
 | | Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA | | Descriptor: | Chains: C,D, Telomerase reverse transcriptase | | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | | Deposit date: | 2020-06-15 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
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6ZD6
 | | Structure of apo telomerase from Candida Tropicalis | | Descriptor: | Telomerase reverse transcriptase | | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | | Deposit date: | 2020-06-13 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
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6JM4
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1JU6
 | | Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ... | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-23 | | Release date: | 2001-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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6ZDP
 | | Structure of telomerase from Candida Tropicalis in complexe with TWJ fragment of telomeric RNA | | Descriptor: | Chains: B, POTASSIUM ION, Telomerase reverse transcriptase | | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | | Deposit date: | 2020-06-15 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
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1JTU
 | | E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-22 | | Release date: | 2001-09-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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4N4Z
 | | Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L. | | Deposit date: | 2013-10-08 | | Release date: | 2014-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Serial crystallography on in vivo grown microcrystals using synchrotron radiation.
IUCrJ, 1, 2014
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6YX8
 | | The structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the C2221 crystal form. | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ... | | Authors: | Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J. | | Deposit date: | 2020-04-30 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.831 Å) | | Cite: | The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13
To Be Published
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4GH4
 | | Crystal Structure of Foot and Mouth Disease Virus A22 Serotype | | Descriptor: | capsid protein VP1, capsid protein VP2, capsid protein VP3, ... | | Authors: | Kotecha, A, Jinshan, R, Curry, S, Fry, E, Stuart, D. | | Deposit date: | 2012-08-07 | | Release date: | 2013-02-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Perturbations in the surface structure of A22 Iraq foot-and-mouth disease virus accompanying coupled changes in host cell specificity and antigenicity.
Structure, 4, 1996
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5BPW
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