Author results

1PEM
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RIBONUCLEOTIDE REDUCTASE PROTEIN R1E FROM SALMONELLA TYPHIMURIUM
Descriptor:Ribonucleoside-diphosphate reductase 2 alpha chain
Authors:Uppsten, M., Farnegardh, M., Jordan, A., Eliasson, R., Eklund, H., Uhlin, U.
Deposit date:2003-05-22
Release date:2004-05-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structure of the large subunit of class Ib ribonucleotide reductase from Salmonella typhimurium and its complexes with allosteric effectors.
J.Mol.Biol., 330, 2003
1PEO
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RIBONUCLEOTIDE REDUCTASE PROTEIN R1E FROM SALMONELLA TYPHIMURIUM
Descriptor:Ribonucleoside-diphosphate reductase 2 alpha chain, MAGNESIUM ION, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE
Authors:Uppsten, M., Farnegardh, M., Jordan, A., Eliasson, R., Eklund, H., Uhlin, U.
Deposit date:2003-05-22
Release date:2004-05-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the large subunit of class Ib ribonucleotide reductase from Salmonella typhimurium and its complexes with allosteric effectors.
J.Mol.Biol., 330, 2003
1PEQ
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RIBONUCLEOTIDE REDUCTASE PROTEIN R1E FROM SALMONELLA TYPHIMURIUM
Descriptor:Ribonucleoside-diphosphate reductase 2 alpha chain, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
Authors:Uppsten, M., Farnegardh, M., Jordan, A., Eliasson, R., Eklund, H., Uhlin, U.
Deposit date:2003-05-22
Release date:2004-05-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the large subunit of class Ib ribonucleotide reductase from Salmonella typhimurium and its complexes with allosteric effectors.
J.Mol.Biol., 330, 2003
1PEU
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RIBONUCLEOTIDE REDUCTASE PROTEIN R1E FROM SALMONELLA TYPHIMURIUM
Descriptor:Ribonucleoside-diphosphate reductase 2 alpha chain, MAGNESIUM ION, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE
Authors:Uppsten, M., Farnegardh, M., Jordan, A., Eliasson, R., Eklund, H., Uhlin, U.
Deposit date:2003-05-22
Release date:2004-05-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the large subunit of class Ib ribonucleotide reductase from Salmonella typhimurium and its complexes with allosteric effectors.
J.Mol.Biol., 330, 2003
1XJE
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STRUCTURAL MECHANISM OF ALLOSTERIC SUBSTRATE SPECIFICITY IN A RIBONUCLEOTIDE REDUCTASE: DTTP-GDP COMPLEX
Descriptor:ribonucleotide reductase, B12-dependent, MAGNESIUM ION, ...
Authors:Larsson, K.-M., Jordan, A., Eliasson, R., Reichard, P., Logan, D.T., Nordlund, P.
Deposit date:2004-09-23
Release date:2005-10-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural mechanism of allosteric substrate specificity regulation in a ribonucleotide reductase.
Nat.Struct.Mol.Biol., 11, 2004
1XJF
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STRUCTURAL MECHANISM OF ALLOSTERIC SUBSTRATE SPECIFICITY IN A RIBONUCLEOTIDE REDUCTASE: DATP COMPLEX
Descriptor:ribonucleotide reductase, B12-dependent, MAGNESIUM ION, ...
Authors:Larsson, K.-M., Jordan, A., Eliasson, R., Reichard, P., Logan, D.T., Nordlund, P.
Deposit date:2004-09-23
Release date:2005-12-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism of allosteric substrate specificity regulation in a ribonucleotide reductase.
Nat.Struct.Mol.Biol., 11, 2004
1XJG
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STRUCTURAL MECHANISM OF ALLOSTERIC SUBSTRATE SPECIFICITY IN A RIBONUCLEOTIDE REDUCTASE: DATP-UDP COMPLEX
Descriptor:ribonucleotide reductase, B12-dependent, MAGNESIUM ION, ...
Authors:Larsson, K.-M., Jordan, A., Eliasson, R., Reichard, P., Logan, D.T., Nordlund, P.
Deposit date:2004-09-23
Release date:2005-12-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Mechanism of Allosteric Substrate Specificity Regulation in a Ribonucleotide Reductase
Nat.Struct.Mol.Biol., 11, 2004
1XJJ
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STRUCTURAL MECHANISM OF ALLOSTERIC SUBSTRATE SPECIFICITY IN A RIBONUCLEOTIDE REDUCTASE: DGTP COMPLEX
Descriptor:ribonucleotide reductase, B12-dependent, MAGNESIUM ION, ...
Authors:Larsson, K.-M., Jordan, A., Eliasson, R., Reichard, P., Logan, D.T., Nordlund, P.
Deposit date:2004-09-23
Release date:2005-12-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Mechanism of Allosteric Substrate Specificity Regulation in a Ribonucleotide Reductase
Nat.Struct.Mol.Biol., 11, 2005
1XJK
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STRUCTURAL MECHANISM OF ALLOSTERIC SUBSTRATE SPECIFICITY IN A RIBONUCLEOTIDE REDUCTASE: DGTP-ADP COMPLEX
Descriptor:ribonucleotide reductase, B12-dependent, MAGNESIUM ION, ...
Authors:Larsson, K.-M., Jordan, A., Eliasson, R., Reichard, P., Logan, D.T., Nordlund, P.
Deposit date:2004-09-23
Release date:2005-11-22
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural mechanism of allosteric substrate specificity regulation in a ribonucleotide reductase.
Nat.Struct.Mol.Biol., 11, 2004
1XJM
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STRUCTURAL MECHANISM OF ALLOSTERIC SUBSTRATE SPECIFICITY IN A RIBONUCLEOTIDE REDUCTASE: DTTP COMPLEX
Descriptor:ribonucleotide reductase, B12-dependent, MAGNESIUM ION, ...
Authors:Larsson, K.-M., Jordan, A., Eliasson, R., Reichard, P., Logan, D.T., Nordlund, P.
Deposit date:2004-09-23
Release date:2005-12-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism of allosteric substrate specificity regulation in a ribonucleotide reductase.
Nat.Struct.Mol.Biol., 11, 2004
1XJN
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STRUCTURAL MECHANISM OF ALLOSTERIC SUBSTRATE SPECIFICITY IN A RIBONUCLEOTIDE REDUCTASE: DATP-CDP COMPLEX
Descriptor:ribonucleotide reductase, B12-dependent, CYTIDINE-5'-DIPHOSPHATE, ...
Authors:Larsson, K.-M., Jordan, A., Eliasson, R., Reichard, P., Logan, D.T., Nordlund, P.
Deposit date:2004-09-23
Release date:2005-12-06
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Mechanism of Allosteric Substrate Specificity Regulation in a Ribonucleotide Reductase
Nat.Struct.Mol.Biol., 11, 2004
6QFI
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STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH BIM BH3 PEPTIDE
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Bcl-2-like protein 11, ZINC ION
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QFM
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STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH PUMA BH3 PEPTIDE
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Bcl-2-binding component 3, ZINC ION, ...
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QFQ
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STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH INDOLE ACID INHIBITOR
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QG8
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH PUMA BH3 PEPTIDE
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGD
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STRUCTURE OF HUMAN MCL-1 IN COMPLEX WITH THIENOPYRIMIDINE INHIBITOR
Descriptor:Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, MALTOSE, ...
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGG
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH ANALOGUE OF ABT-737
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGH
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH ABT-263
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGJ
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH FRAGMENT/ABT-263 HYBRID
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGK
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STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH THIQ-PHENYL PYRAZOLE COMPOUND
Descriptor:Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION
Authors:Dokurno, P., Murray, J., Davidson, J., Chen, I., Davis, B., Graham, C.J., Harris, R., Jordan, A.M., Matassova, N., Pedder, C., Ray, S., Roughley, S., Smith, J., Walmsley, C., Wang, Y., Whitehead, N., Williamson, D.S., Casara, P., Le Diguarher, T., Hickman, J., Stark, J., Kotschy, A., Geneste, O., Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
5LIA
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CRYSTAL STRUCTURE OF MURINE AUTOTAXIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
Descriptor:Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Turnbull, A.P., Shah, P., Cheasty, A., Raynham, T., Pang, L., Owen, P.
Deposit date:2016-07-14
Release date:2016-11-09
Last modified:2016-12-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
5Z9C
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SOLUTION NMR STRUCTURES OF BRD4 FIRST BROMODOMAIN WITH SMALL COMPOUND MMQO
Descriptor:Bromodomain-containing protein 4, 8-methoxy-6-methylquinolin-4(1H)-one
Authors:Zeng, L., Zhou, M.-M.
Deposit date:2018-02-02
Release date:2018-02-14
Last modified:2018-05-16
Method:SOLUTION NMR
Cite:A New Quinoline BRD4 Inhibitor Targets a Distinct Latent HIV-1 Reservoir for Reactivation from Other "Shock" Drugs.
J. Virol., 92, 2018
1R2F
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RIBONUCLEOTIDE REDUCTASE R2F PROTEIN FROM SALMONELLA TYPHIMURIUM
Descriptor:PROTEIN (RIBONUCLEOTIDE REDUCTASE R2), FE (III) ION
Authors:Eklund, H., Eriksson, M.
Deposit date:1998-08-24
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Salmonella typhimurium nrdF ribonucleotide reductase in its oxidized and reduced forms.
Biochemistry, 37, 1998
2R2F
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RIBONUCLEOTIDE REDUCTASE R2F PROTEIN FROM SALMONELLA TYPHIMURIUM (OXIDIZED)
Descriptor:PROTEIN (RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SMALL CHAIN), MU-OXO-DIIRON
Authors:Eklund, H., Eriksson, M.
Deposit date:1998-08-24
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Salmonella typhimurium nrdF ribonucleotide reductase in its oxidized and reduced forms.
Biochemistry, 37, 1998
5L57
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CRYSTAL STRUCTURE OF ISO-CITRATE DEHYDROGENASE R132H IN COMPLEX WITH A NOVEL INHIBITOR (COMPOUND 13A)
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
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