6ZCP
 
 | | SYK Kinase domain in complex with azabenzimidazole inhibitor 2b | | Descriptor: | 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Read, J.A. | | Deposit date: | 2020-06-11 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | SYK Kinase domain in complex with azabenzimidazole inhibitor 4
To Be Published
|
|
6ZCS
 | | SYK Kinase domain in complex with azabenzimidazole inhibitor 3 | | Descriptor: | (3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine, Tyrosine-protein kinase SYK | | Authors: | Read, J.A. | | Deposit date: | 2020-06-12 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | SYK Kinase domain in complex with azabenzimidazole inhibitor 3
To Be Published
|
|
6ZCX
 | | SYK Kinase domain in complex with azabenzimidazole inhibitor 18 | | Descriptor: | Tyrosine-protein kinase SYK, ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide | | Authors: | Read, J.A. | | Deposit date: | 2020-06-12 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | SYK Kinase domain in complex with azabenzimidazole inhibitor 18
To Be Published
|
|
6ZCQ
 | | SYK Kinase domain in complex with diamine inhibitor 5 | | Descriptor: | 7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Read, J.A. | | Deposit date: | 2020-06-11 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | SYK Kinase domain in complex with diamine inhibitor 5
To Be Published
|
|
6ZCR
 | | SYK Kinase domain in complex with azabenzimidazole inhibitor 7 | | Descriptor: | 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, Tyrosine-protein kinase SYK | | Authors: | Read, J.A, Patel, J. | | Deposit date: | 2020-06-12 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | SYK Kinase domain in complex with azabenzimidazole inhibitor 7
To Be Published
|
|
6ZC0
 | | SYK Kinase domain in complex with azabenzimidazole inhibitor 2b | | Descriptor: | Tyrosine-protein kinase SYK, ~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine | | Authors: | Read, J.A. | | Deposit date: | 2020-06-09 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | SYK Kinase domain in complex with azabenzimidazole inhibitor 2b
To Be Published
|
|
6ZCY
 | | SYK Kinase domain in complex with diamine inhibitor 16 | | Descriptor: | Tyrosine-protein kinase SYK, ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide | | Authors: | Read, J.A. | | Deposit date: | 2020-06-12 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | SYK Kinase domain in complex with azabenzimidazole inhibitor 16
To Be Published
|
|
1CET
 | | CHLOROQUINE BINDS IN THE COFACTOR BINDING SITE OF PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE. | | Descriptor: | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, PROTEIN (L-LACTATE DEHYDROGENASE) | | Authors: | Read, J.A, Wilkinson, K.W, Tranter, R, Sessions, R.B, Brady, R.L. | | Deposit date: | 1999-03-10 | | Release date: | 1999-03-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Chloroquine binds in the cofactor binding site of Plasmodium falciparum lactate dehydrogenase.
J.Biol.Chem., 274, 1999
|
|
1CEQ
 | | CHLOROQUINE BINDS IN THE COFACTOR BINDING SITE OF PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE. | | Descriptor: | PROTEIN (L-LACTATE DEHYDROGENASE) | | Authors: | Read, J.A, Wilkinson, K.W, Tranter, R, Sessions, R.B, Brady, R.L. | | Deposit date: | 1999-03-10 | | Release date: | 1999-03-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Chloroquine binds in the cofactor binding site of Plasmodium falciparum lactate dehydrogenase.
J.Biol.Chem., 274, 1999
|
|
1E82
 | | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD59601 | | Descriptor: | (2S)-1-{[(2R)-1-{[(2S,3R)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate, ENDOTHIAPEPSIN | | Authors: | Read, J.A, Cooper, J.B, Toldo, L, Rippmann, F, Raddatz, P. | | Deposit date: | 2000-09-15 | | Release date: | 2000-10-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases.
Thesis, 1999
|
|
1E5O
 | | Endothiapepsin complex with inhibitor DB2 | | Descriptor: | ENDOTHIAPEPSIN, N-[(2S)-2-amino-3-phenylpropyl]-D-methionyl-L-alanyl-L-isoleucine | | Authors: | Read, J.A, Cooper, J.B, Toldo, L, Bailey, D. | | Deposit date: | 2000-07-28 | | Release date: | 2000-09-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases.
Thesis, 1999
|
|
1E81
 | | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD61395 | | Descriptor: | (2S)-1-{[(2R)-1-{[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2H)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate, ENDOTHIAPEPSIN | | Authors: | Read, J.A, Cooper, J.B, Toldo, L, Rippmann, F, Raddatz, P. | | Deposit date: | 2000-09-15 | | Release date: | 2000-10-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases.
Thesis, 1999
|
|
1I0Z
 | | HUMAN HEART L-LACTATE DEHYDROGENASE H CHAIN, TERNARY COMPLEX WITH NADH AND OXAMATE | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE H CHAIN, OXAMIC ACID | | Authors: | Read, J.A, Winter, V.J, Eszes, C.M, Sessions, R.B, Brady, R.L. | | Deposit date: | 2001-01-30 | | Release date: | 2001-03-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for altered activity of M- and H-isozyme forms of human lactate dehydrogenase.
Proteins, 43, 2001
|
|
1I10
 | | HUMAN MUSCLE L-LACTATE DEHYDROGENASE M CHAIN, TERNARY COMPLEX WITH NADH AND OXAMATE | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, L-LACTATE DEHYDROGENASE M CHAIN, ... | | Authors: | Read, J.A, Winter, V.J, Eszes, C.M, Sessions, R.B, Brady, R.L. | | Deposit date: | 2001-01-30 | | Release date: | 2001-03-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for altered activity of M- and H-isozyme forms of human lactate dehydrogenase.
Proteins, 43, 2001
|
|
8BI2
 | | Syk kinase domain in complex with macrocyclic inhibitor 20a | | Descriptor: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | | Authors: | Read, J.A, Patel, J. | | Deposit date: | 2022-11-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
|
|
2YDK
 | | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | | Descriptor: | 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | Deposit date: | 2011-03-22 | | Release date: | 2012-04-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
|
|
2YDI
 | | Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | | Descriptor: | 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | Deposit date: | 2011-03-21 | | Release date: | 2012-04-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
|
|
6SFC
 | | EED in complex with a methyl-thiazole | | Descriptor: | CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Read, J.A. | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
|
|
6SM8
 | | Human jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, Tyrosine-protein kinase JAK1 | | Authors: | Read, J.A, Steuber, H. | | Deposit date: | 2019-08-21 | | Release date: | 2020-04-29 | | Last modified: | 2020-05-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
|
|
6SSB
 | | syk in complex with compound 30 | | Descriptor: | Tyrosine-protein kinase SYK, ~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine | | Authors: | Read, J.A. | | Deposit date: | 2019-09-06 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of a Series of Potent, Selective and Orally Bioavailable SYK Inhibitors
To Be Published
|
|
6SFB
 | | EED in complex with a triazolopyrimidine | | Descriptor: | GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | | Authors: | Read, J.A. | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
|
|
6SMB
 | | Human jak1 kinase domain in complex with inhibitor | | Descriptor: | Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide | | Authors: | Read, J.A, Steuber, H. | | Deposit date: | 2019-08-21 | | Release date: | 2020-04-29 | | Last modified: | 2020-05-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
|
|
4BII
 | |
4BQR
 | | Mtb InhA complex with Methyl-thiazole compound 11 | | Descriptor: | (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Shirude, P.S. | | Deposit date: | 2013-05-31 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis.
J.Med.Chem., 56, 2013
|
|
4BQP
 | | Mtb InhA complex with Methyl-thiazole compound 7 | | Descriptor: | (1S)-1-(5-{[1-(2,6-DIFLUOROBENZYL)-1H-PYRAZOL-3-YL]AMINO}-1,3,4-THIADIAZOL-2-YL)-1-(4-METHYL-1,3-THIAZOL-2-YL)ETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Shirude, P.S. | | Deposit date: | 2013-05-31 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis.
J.Med.Chem., 56, 2013
|
|
