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1CET
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BU of 1cet by Molmil
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
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BU of 1ceq by Molmil
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
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BU of 1e82 by Molmil
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
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BU of 1e5o by Molmil
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
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BU of 1e81 by Molmil
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
1E80
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BU of 1e80 by Molmil
Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD56133
Descriptor: 4-amino-N-{(1R,8R,9R,13R)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1S)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide, ENDOTHIAPEPSIN
Authors:Read, J.A, Cooper, J.B, Toldo, L, Rippmann, F, Raddatz, P.
Deposit date:2000-09-15
Release date:2000-09-26
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.
Ph D Thesis, 1999
1I0Z
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BU of 1i0z by Molmil
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
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BU of 1i10 by Molmil
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
6ZCU
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BU of 6zcu by Molmil
syk in complex with 57262_SYKB-AZ13344324-2
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 2b
To Be Published
6ZCP
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BU of 6zcp by Molmil
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
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BU of 6zcs by Molmil
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
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BU of 6zcx by Molmil
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
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BU of 6zcq by Molmil
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
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BU of 6zcr by Molmil
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
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BU of 6zc0 by Molmil
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
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BU of 6zcy by Molmil
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
6RA7
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BU of 6ra7 by Molmil
Human tnik in complex with compound 9
Descriptor: 1,2-ETHANEDIOL, 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol, MAGNESIUM ION, ...
Authors:Read, J.A.
Deposit date:2019-04-05
Release date:2019-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
6RA5
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BU of 6ra5 by Molmil
Human tnik in complex with compound 9
Descriptor: 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase
Authors:Read, J.A.
Deposit date:2019-04-05
Release date:2020-05-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
6SFC
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BU of 6sfc by Molmil
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:2021-07-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
6SSB
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BU of 6ssb by Molmil
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
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of a Series of Potent, Selective and Orally Bioavailable SYK Inhibitors
To Be Published
6SFB
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BU of 6sfb by Molmil
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:2021-07-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
4UVE
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BU of 4uve by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 9
Descriptor: 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
4UVH
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BU of 4uvh by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 10
Descriptor: ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
4UY9
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BU of 4uy9 by Molmil
Structure of MLK1 kinase domain with leucine zipper 1
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9
Authors:Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
4UVG
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BU of 4uvg by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 15
Descriptor: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published

 

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