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5LPM
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BU of 5lpm by Molmil
Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d
Descriptor: ACETATE ION, Histone acetyltransferase p300, ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide
Authors:Huegle, M, Wohlwend, D, Gerhardt, S.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LUK
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BU of 5luk by Molmil
Structure of a double variant of cutinase 2 from Thermobifida cellulosilytica
Descriptor: CHLORIDE ION, Cutinase 2, MAGNESIUM ION
Authors:Hromic, A, Lyskowski, A, Gruber, K.
Deposit date:2016-09-09
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
5LUJ
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BU of 5luj by Molmil
Structure of cutinase 2 from Thermobifida cellulosilytica
Descriptor: CHLORIDE ION, Cutinase 2
Authors:Hromic, A, Lyskowski, A, Gruber, K.
Deposit date:2016-09-08
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
5LPK
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BU of 5lpk by Molmil
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5L3R
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BU of 5l3r by Molmil
Structure of the GTPase heterodimer of chloroplast SRP54 and FtsY from Arabidopsis thaliana
Descriptor: Cell division protein FtsY homolog, chloroplastic, GLYCEROL, ...
Authors:Bange, G, Kribelbauer, J, Wild, K, Sinning, I.
Deposit date:2016-05-24
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex.
J.Mol.Biol., 428, 2016
5L3Q
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BU of 5l3q by Molmil
Structure of the GTPase heterodimer of human SRP54 and SRalpha
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Wild, K, Segnitz, B, Sinning, I.
Deposit date:2016-05-24
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex.
J.Mol.Biol., 428, 2016
5ZNX
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BU of 5znx by Molmil
Crystal structure of CM14-treated HlyU from Vibrio vulnificus
Descriptor: Transcriptional activator
Authors:Park, N, Kim, S, Jo, I, Ahn, J, Hong, S, Jeong, S, Baek, Y.
Deposit date:2018-04-11
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:Small-molecule inhibitor of HlyU attenuates virulence of Vibrio species.
Sci Rep, 9, 2019
5KSI
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BU of 5ksi by Molmil
Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate
Descriptor: (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ...
Authors:Ahmed, M.H, Safo, M.K, Xia, Y.
Deposit date:2016-07-08
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
5X90
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BU of 5x90 by Molmil
Structure of DotL(656-783)-IcmS-IcmW-LvgA derived from Legionella pneumophila
Descriptor: Hypothetical virulence protein, IcmO (DotL), IcmS, ...
Authors:Kim, H, Kwak, M.J, Kim, J.D, Kim, Y.G, Oh, B.H.
Deposit date:2017-03-04
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Architecture of the type IV coupling protein complex of Legionella pneumophila
Nat Microbiol, 2, 2017
5XAH
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BU of 5xah by Molmil
Crystal structure of human Importin4
Descriptor: Importin-4
Authors:Song, J.J, Yoon, J.
Deposit date:2017-03-13
Release date:2018-02-14
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Integrative Structural Investigation on the Architecture of Human Importin4_Histone H3/H4_Asf1a Complex and Its Histone H3 Tail Binding
J. Mol. Biol., 430, 2018
5X5U
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BU of 5x5u by Molmil
Crystal structure of alpha-ketoglutarate-semialdehyde dehydrogenase (KGSADH) complexed with NAD
Descriptor: Alpha-ketoglutaric semialdehyde dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Son, H.-F, Kim, K.-J.
Deposit date:2017-02-17
Release date:2017-05-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the production of 3-hydroxypropionic acid by aldehyde dehydrogenase from Azospirillum brasilense.
Sci Rep, 7, 2017
4BAE
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BU of 4bae by Molmil
Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis
Descriptor: 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ...
Authors:Read, J.A, Gingell, H.G, Madhavapeddi, P.
Deposit date:2012-09-13
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
5HN0
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BU of 5hn0 by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 4
Descriptor: (6-hydroxybiphenyl-3-yl)acetic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design.
J.Med.Chem., 59, 2016
5VTB
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BU of 5vtb by Molmil
Crystal structure of RBBP4 bound to BCL11a peptide
Descriptor: B-cell lymphoma/leukemia 11A, GLYCEROL, Histone-binding protein RBBP4
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2017-05-16
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the interaction between the histone methyltransferase/deacetylase subunit RBBP4/7 and the transcription factor BCL11A in epigenetic complexes.
J. Biol. Chem., 293, 2018
5HX8
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BU of 5hx8 by Molmil
Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
Descriptor: 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one, Tyrosine-protein kinase JAK1
Authors:Su, H.P.
Deposit date:2016-01-29
Release date:2016-03-16
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design and development of (benz)imidazole pyridones as JAK1-selective kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5HWT
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BU of 5hwt by Molmil
Crystal structure of apo-PAS1
Descriptor: Sensor histidine kinase TodS
Authors:Hwang, J, Koh, S.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
5XUY
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BU of 5xuy by Molmil
Crystal structure of ATG101-ATG13HORMA
Descriptor: Autophagy-related protein 101, Autophagy-related protein 13
Authors:Kim, B.-W, Song, H.K.
Deposit date:2017-06-26
Release date:2018-07-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation.
Autophagy, 14, 2018
5W5K
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BU of 5w5k by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70
Descriptor: 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-06-15
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019
1S6I
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BU of 1s6i by Molmil
Ca2+-regulatory region (CLD) from soybean calcium-dependent protein kinase-alpha (CDPK) in the presence of Ca2+ and the junction domain (JD)
Descriptor: CALCIUM ION, Calcium-dependent protein kinase SK5
Authors:Weljie, A.M, Vogel, H.J.
Deposit date:2004-01-23
Release date:2004-06-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Unexpected structure of the Ca2+-regulatory region from soybean calcium-dependent protein kinase-alpha
J.Biol.Chem., 279, 2004
6AHC
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BU of 6ahc by Molmil
Cryo-EM structure of aldehyde-alcohol dehydrogenase reveals a high-order helical architecture critical for its activity
Descriptor: Aldehyde-alcohol dehydrogenase
Authors:Kim, G, Song, J.J.
Deposit date:2018-08-17
Release date:2019-08-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Aldehyde-alcohol dehydrogenase forms a high-order spirosome architecture critical for its activity.
Nat Commun, 10, 2019
4BYY
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BU of 4byy by Molmil
Apo GlxR
Descriptor: GLYCEROL, PHOSPHATE ION, TRANSCRIPTIONAL REGULATOR, ...
Authors:Pohl, E, Cann, M.J, Townsend, P.D, Money, V.A.
Deposit date:2013-07-21
Release date:2014-07-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The Crystal Structures of Apo and Camp-Bound Glxr from Corynebacterium Glutamicum Reveal Structural and Dynamic Changes Upon Camp Binding in Crp/Fnr Family Transcription Factors.
Plos One, 9, 2014
1QKN
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BU of 1qkn by Molmil
RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH ANTAGONIST RALOXIFENE
Descriptor: ACETATE ION, ESTROGEN RECEPTOR BETA, RALOXIFENE
Authors:Pike, A.C.W, Brzozowski, A.M, Carlquist, M.
Deposit date:1999-07-27
Release date:2000-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of the Ligand-Binding Domain of Oestrogen Receptor Beta in the Presence of a Partial Agonist and a Full Antagonist
Embo J., 18, 1999
1QKM
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BU of 1qkm by Molmil
HUMAN OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PARTIAL AGONIST GENISTEIN
Descriptor: ESTROGEN RECEPTOR BETA, GENISTEIN
Authors:Pike, A.C.W, Brzozowski, A.M, Carlquist, M.
Deposit date:1999-07-27
Release date:2000-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Ligand-Binding Domain of Oestrogen Receptor Beta in the Presence of a Partial Agonist and a Full Antagonist
Embo J., 18, 1999
3V3C
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BU of 3v3c by Molmil
Crystal Structure of Chloroplast ATP synthase c-ring from Pisum sativum
Descriptor: ATP synthase subunit c, chloroplastic, DIGALACTOSYL DIACYL GLYCEROL (DGDG), ...
Authors:Saroussi, S, Nelson, N.
Deposit date:2011-12-13
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.402 Å)
Cite:Structure and flexibility of the C-ring in the electromotor of rotary F(o)F(1)-ATPase of pea chloroplasts.
Plos One, 7, 2012
2D4Y
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BU of 2d4y by Molmil
Crystal structure of a 49K fragment of HAP1 (FlgK)
Descriptor: Flagellar hook-associated protein 1
Authors:Imada, K, Matsunami, H, Samatey, A.F, Nagashima, S, Namba, K.
Deposit date:2005-10-25
Release date:2006-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the bacterial flagellar hook-filament junction
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数据于2024-07-17公开中

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