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PDB: 124 results

5FFI
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[2Fe:2S] ferredoxin FeSII from Azotobacter vinelandii
Descriptor: Dimeric (2Fe-2S) protein, FE2/S2 (INORGANIC) CLUSTER
Authors:Schlesier, J, Rohde, M, Gerhardt, S, Einsle, O.
Deposit date:2015-12-18
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A Conformational Switch Triggers Nitrogenase Protection from Oxygen Damage by Shethna Protein II (FeSII).
J.Am.Chem.Soc., 138, 2016
5AR1
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BU of 5ar1 by Molmil
Crystal structure of Cdc11 from Saccharomyces cerevisiae
Descriptor: CELL DIVISION CONTROL PROTEIN 11
Authors:Brausemann, A, Gerhardt, S, Schott, A.K, Einsle, O, Grosse-Berkenbusch, A, Johnsson, N, Gronemeyer, T.
Deposit date:2015-09-23
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Cdc11, a Septin Subunit from Saccharomyces Cerevisiae.
J.Struct.Biol., 193, 2016
4C7N
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BU of 4c7n by Molmil
Crystal Structure of the synthetic peptide iM10 in complex with the coiled-coil region of MITF
Descriptor: MERCURY (II) ION, MICROPHTHALMIA ASSOCIATED TRANSCRIPTION FACTOR, SYNTHETIC ALPHA-HELIX, ...
Authors:Wohlwend, D, Gerhardt, S, Kuekenshoener, T, Einsle, O.
Deposit date:2013-09-23
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Improving Coiled Coil Stability While Maintaining Specificity by a Bacterial Hitchhiker Selection System.
J.Struct.Biol., 186, 2014
4HFR
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BU of 4hfr by Molmil
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017.
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
Authors:Ogg, D.J, Gerhardt, S, Hargreaves, D.
Deposit date:2012-10-05
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017)
J.Med.Chem., 55, 2012
5D7O
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Crystal structure of Sirt2-ADPR at an improved resolution
Descriptor: NAD-dependent protein deacetylase sirtuin-2, TRIETHYLENE GLYCOL, ZINC ION, ...
Authors:Rumpf, T, Gerhardt, S, Einsle, O, Jung, M.
Deposit date:2015-08-14
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
5D7N
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BU of 5d7n by Molmil
Crystal structure of human Sirt3 at an improved resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ...
Authors:Rumpf, T, Gerhardt, S, Einsle, O, Jung, M.
Deposit date:2015-08-14
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
5D7P
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BU of 5d7p by Molmil
Crystal structure of human Sirt2 in complex with ADPR and EX-243
Descriptor: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Rumpf, T, Gerhardt, S, Einsle, O, Jung, M.
Deposit date:2015-08-14
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
5D7Q
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BU of 5d7q by Molmil
Crystal structure of human Sirt2 in complex with ADPR and CHIC35
Descriptor: (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
Authors:Rumpf, T, Gerhardt, S, Einsle, O, Jung, M.
Deposit date:2015-08-14
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
4OQY
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BU of 4oqy by Molmil
Streptomyces sp. GF3546 imine reductase
Descriptor: (S)-imine reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O.
Deposit date:2014-02-10
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces.
CHEMCATCHEM, 2014
4OQZ
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BU of 4oqz by Molmil
Streptomyces aurantiacus imine reductase
Descriptor: Putative oxidoreductase YfjR
Authors:Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O.
Deposit date:2014-02-10
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces.
CHEMCATCHEM, 2014
4RIE
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BU of 4rie by Molmil
Landomycin Glycosyltransferase LanGT2
Descriptor: Glycosyl transferase homolog
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RIF
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BU of 4rif by Molmil
Landomycin Glycosyltransferase LanGT2, carbasugar substrate complex
Descriptor: 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RIG
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BU of 4rig by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac
Descriptor: Glycosyl transferase, MAGNESIUM ION
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RIH
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BU of 4rih by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex
Descriptor: 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RII
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BU of 4rii by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, TDP complex
Descriptor: Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4P38
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BU of 4p38 by Molmil
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329
Descriptor: 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
Authors:Ogg, D, Hargreaves, D, Gerhardt, S.
Deposit date:2014-03-06
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329).
J.Med.Chem., 55, 2012
4RMG
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BU of 4rmg by Molmil
Human Sirt2 in complex with SirReal2 and NAD+
Descriptor: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M.
Deposit date:2014-10-21
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4RMI
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BU of 4rmi by Molmil
Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide
Descriptor: Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M.
Deposit date:2014-10-21
Release date:2015-02-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4RMH
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BU of 4rmh by Molmil
Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide
Descriptor: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M.
Deposit date:2014-10-21
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4RMJ
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BU of 4rmj by Molmil
Human Sirt2 in complex with ADP ribose and nicotinamide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M.
Deposit date:2014-10-21
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4A7B
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BU of 4a7b by Molmil
MMP13 IN COMPLEX WITH A NOVEL SELECTIVE NON ZINC BINDING INHIBITOR CMPD22
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, COLLAGENASE 3, ...
Authors:Hargreaves, D, Gerhardt, S.
Deposit date:2011-11-11
Release date:2011-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lead Optimisation of Selective Non-Zinc Binding Inhibitors of Mmp13. Part 2.
Bioorg.Med.Chem.Lett., 22, 2012
2B99
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BU of 2b99 by Molmil
Crystal Structure of an archaeal pentameric riboflavin synthase Complex with a Substrate analog inhibitor
Descriptor: 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, Riboflavin synthase
Authors:Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M.
Deposit date:2005-10-11
Release date:2005-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications
J.Biol.Chem., 281, 2006
2B98
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BU of 2b98 by Molmil
Crystal Structure of an archaeal pentameric riboflavin synthase
Descriptor: Riboflavin synthase
Authors:Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M.
Deposit date:2005-10-11
Release date:2005-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications
J.Biol.Chem., 281, 2006
2VV9
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BU of 2vv9 by Molmil
CDK2 in complex with an imidazole piperazine
Descriptor: 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2
Authors:Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M.
Deposit date:2008-06-04
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode.
Bioorg.Med.Chem.Lett., 18, 2008

224572

數據於2024-09-04公開中

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