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PDB: 2996 results

4LAA
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BU of 4laa by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L36H at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Wheeler, E.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B, Robinson, A.C.
Deposit date:2013-06-19
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L36H at cryogenic temperature
To be Published
3NTG
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BU of 3ntg by Molmil
Crystal structure of COX-2 with selective compound 23d-(R)
Descriptor: (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R.
Deposit date:2010-07-04
Release date:2010-10-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
6VA3
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BU of 6va3 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC
Descriptor: 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
2BEW
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BU of 2bew by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-11-30
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
2BFC
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BU of 2bfc by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-12-06
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
2BOS
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BU of 2bos by Molmil
A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR
Descriptor: N-BUTANE, PROTEIN (SHIGA-LIKE TOXIN IIE B SUBUNIT), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, ...
Authors:Ling, H, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J.
Deposit date:1998-10-20
Release date:1999-10-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A mutant Shiga-like toxin IIe bound to its receptor Gb(3): structure of a group II Shiga-like toxin with altered binding specificity.
Structure Fold.Des., 8, 2000
6VA2
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BU of 6va2 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5
Descriptor: (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
2BFE
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BU of 2bfe by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-12-06
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
2BFB
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BU of 2bfb by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-12-06
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
2BFD
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BU of 2bfd by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-12-06
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
6VA1
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BU of 6va1 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element
Descriptor: RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
2BEU
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BU of 2beu by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-11-30
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
6VA4
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BU of 6va4 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MIP
Descriptor: N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
Authors:Chen, J.L, Fountain, M.A, Disney, M.D.
Deposit date:2019-12-16
Release date:2020-05-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
2BFF
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BU of 2bff by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-12-06
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
2BEV
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BU of 2bev by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-11-30
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
3JCT
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BU of 3jct by Molmil
Cryo-em structure of eukaryotic pre-60S ribosomal subunits
Descriptor: 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
Authors:Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N.
Deposit date:2016-03-09
Release date:2016-06-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes
Nature, 534, 2016
1L7X
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BU of 1l7x by Molmil
Human liver glycogen phosphorylase b complexed with caffeine, N-acetyl-beta-D-glucopyranosylamine, and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CAFFEINE, Glycogen phosphorylase, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-18
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
1L5R
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BU of 1l5r by Molmil
Human liver glycogen phosphorylase a complexed with riboflavin, N-Acetyl-beta-D-Glucopyranosylamine and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
1L5S
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BU of 1l5s by Molmil
Human liver glycogen phosphorylase complexed with uric acid, N-Acetyl-beta-D-glucopyranosylamine, and CP-403,700
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Glycogen phosphorylase, liver form, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
1L5Q
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BU of 1l5q by Molmil
Human liver glycogen phosphorylase a complexed with caffeine, N-Acetyl-beta-D-glucopyranosylamine, and CP-403700
Descriptor: CAFFEINE, Glycogen phosphorylase, liver form, ...
Authors:Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L.
Deposit date:2002-03-07
Release date:2002-12-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-activity analysis of the purine binding site of human liver glycogen phosphorylase.
Chem.Biol., 9, 2002
2ACE
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BU of 2ace by Molmil
NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA
Descriptor: ACETYLCHOLINE, ACETYLCHOLINESTERASE
Authors:Harel, M, Raves, M.L, Silman, I, Sussman, J.L.
Deposit date:1996-06-23
Release date:1996-11-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
7LUH
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BU of 7luh by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment bromophenoxy propanamide
Descriptor: (2~{R})-2-(4-bromanylphenoxy)propanamide, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
7LUJ
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BU of 7luj by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment 4-methoxy-N-phenylbenzenesulfonamide
Descriptor: 4-methoxy-~{N}-phenyl-benzenesulfonamide, SULFATE ION, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
5C4Z
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BU of 5c4z by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L25H at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2015-06-18
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L25H at cryogenic temperature
To be Published
5C3W
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BU of 5c3w by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66H at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2015-06-17
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS V66H at cryogenic temperature
To be Published

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