2XJA
| Structure of MurE from M.tuberculosis with dipeptide and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE--2,6-DIAMINOPIMELATE LIGASE, ... | Authors: | Basavannacharya, C, Moody, P.R, Bhakta, S, Keep, N. | Deposit date: | 2010-07-03 | Release date: | 2010-08-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Essential Residues for the Enzyme Activity of ATP-Dependent Mure Ligase from Mycobacterium Tuberculosis. Protein Cell, 1, 2010
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8REB
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8REA
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8RE4
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8REC
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8REE
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8RED
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6TKZ
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5DMA
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6H3K
| Introduction of a methyl group curbs metabolism of pyrido[3,4-d]pyrimidine MPS1 inhibitors and enables the discovery of the Phase 1 clinical candidate BOS172722. | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine | Authors: | Woodward, H.L, Hoelder, S. | Deposit date: | 2018-07-19 | Release date: | 2018-09-19 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4- d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N2-(2-Ethoxy-4-(4-methyl-4 H-1,2,4-triazol-3-yl)phenyl)-6-methyl- N8-neopentylpyrido[3,4- d]pyrimidine-2,8-diamine (BOS172722). J. Med. Chem., 61, 2018
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5MKR
| HSP72-NBD bound to compound TCI 8 - Tyr15 in up-conformation | Descriptor: | 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, CITRATE ANION, Heat shock 70 kDa protein 1A | Authors: | Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M. | Deposit date: | 2016-12-05 | Release date: | 2017-03-01 | Last modified: | 2017-03-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MKS
| HSP72-NBD bound to compound TCI 8 - Tyr15 in down-conformation | Descriptor: | 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, Heat shock 70 kDa protein 1A | Authors: | Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M. | Deposit date: | 2016-12-05 | Release date: | 2017-03-01 | Last modified: | 2017-03-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56. Angew. Chem. Int. Ed. Engl., 56, 2017
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2Y1Y
| Human alphaB crystallin ACD(residues 71-157) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ALPHA-CRYSTALLIN B CHAIN, | Authors: | Naylor, C.E, Bagneris, C, Clark, A.R, Keep, N.H, Slingsby, C. | Deposit date: | 2010-12-10 | Release date: | 2011-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of R120G Disease Mutant of Human Alphab-Crystallin Domain Dimer Shows Closure of a Groove J.Mol.Biol., 408, 2011
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2Y1Z
| Human alphaB Crystallin ACD R120G | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-CRYSTALLIN B CHAIN | Authors: | Clark, A.R, Bagneris, C, Naylor, C.E, Keep, N.H, Slingsby, C. | Deposit date: | 2010-12-10 | Release date: | 2011-03-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of R120G Disease Mutant of Human Alphab-Crystallin Domain Dimer Shows Closure of a Groove J.Mol.Biol., 408, 2011
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2Y22
| Human AlphaB-crystallin Domain (residues 67-157) | Descriptor: | ALPHA-CRYSTALLIN B | Authors: | Naylor, C.E, Bagneris, C, Clark, A.R, Keep, N.H, Slingsby, C. | Deposit date: | 2010-12-13 | Release date: | 2011-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Crystal Structure of R120G Disease Mutant of Human Alphab-Crystallin Domain Dimer Shows Closure of a Groove J.Mol.Biol., 408, 2011
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