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6SBU
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BU of 6sbu by Molmil
X-ray Structure of Human LDHA with an Allosteric Inhibitor (Compound 3)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid, L-lactate dehydrogenase A chain
著者Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H.
登録日2019-07-22
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A.
Acs Omega, 5, 2020
8FUZ
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BU of 8fuz by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; filament assembly interface reconstruction
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者O'Neill, A.G, Kollman, J.M.
登録日2023-01-18
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
5LW9
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BU of 5lw9 by Molmil
Crystal structure of human JARID1B in complex with S40563a
分子名称: 1,2-ETHANEDIOL, 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K.
登録日2016-09-15
公開日2016-09-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human JARID1B in complex with S40563a
to be published
6YNF
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BU of 6ynf by Molmil
GAPDH purified from the supernatant of HEK293F cells: crystal form 3 of 4.
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase
著者Roversi, P, Lia, A.
登録日2020-04-13
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
7S3P
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BU of 7s3p by Molmil
BD2 domain of human BRD3 bound to Physachenolide C
分子名称: Bromodomain-containing protein 3, CHLORIDE ION, Physachenolide C
著者Horton, N.C, Chapman, E, Sivinski, J, Zerio, C, Ghadirian, N.
登録日2021-09-07
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Physachenolide C is a Potent, Selective BET Inhibitor.
J.Med.Chem., 66, 2023
2LY9
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BU of 2ly9 by Molmil
Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F
分子名称: Zinc fingers and homeoboxes protein 1
著者Xu, X, Eletsky, A, Mills, J.L, Pulavarti, S.V.S.R.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2012-09-14
公開日2012-11-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F
To be Published
5LPU
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BU of 5lpu by Molmil
Crystal structure of Annexin A2 complexed with S100A4
分子名称: Annexin A2, CALCIUM ION, GLYCEROL, ...
著者Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
登録日2016-08-15
公開日2017-07-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
6Y9Z
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BU of 6y9z by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,9)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
5M24
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BU of 5m24 by Molmil
RARg mutant-S371E
分子名称: (9cis)-retinoic acid, CHLORIDE ION, DODECYL-ALPHA-D-MALTOSIDE, ...
著者Rochel, N, Sirigu, S.
登録日2016-10-11
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid Receptor gamma.
PLoS ONE, 12, 2017
6YBV
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BU of 6ybv by Molmil
Structure of a human 48S translational initiation complex - eIF2-TC
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ...
著者Brito Querido, J, Sokabe, M, Kraatz, S, Gordiyenko, Y, Skehel, M, Fraser, C, Ramakrishnan, V.
登録日2020-03-17
公開日2020-09-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of a human 48Stranslational initiation complex.
Science, 369, 2020
5M23
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BU of 5m23 by Molmil
Modulation of MLL1 Methyltransferase Activity
分子名称: 4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide, WD repeat-containing protein 5
著者Srinivasan, V.
登録日2016-10-11
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Controlled inhibition of methyltransferases using photoswitchable peptidomimetics: towards an epigenetic regulation of leukemia.
Chem Sci, 8, 2017
6SBV
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BU of 6sbv by Molmil
X-ray Structure of Human LDH-A with an Allosteric Inhibitor (Compound 7)
分子名称: L-lactate dehydrogenase A chain, ~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
著者Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H.
登録日2019-07-22
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A.
Acs Omega, 5, 2020
7UTJ
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BU of 7utj by Molmil
Cryogenic electron microscopy 3D map of F-actin bound by human dimeric alpha-catenin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Rangarajan, E.S, Smith, E.W, Izard, T.
登録日2022-04-27
公開日2023-03-08
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Distinct inter-domain interactions of dimeric versus monomeric alpha-catenin link cell junctions to filaments.
Commun Biol, 6, 2023
6SAH
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BU of 6sah by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX5 (11)
分子名称: Bromodomain-containing protein 4, ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-16
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
5LG0
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BU of 5lg0 by Molmil
Solution NMR structure of Tryptophan to Alanine mutant of Arkadia RING domain.
分子名称: E3 ubiquitin-protein ligase Arkadia, ZINC ION
著者Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
登録日2016-07-05
公開日2017-06-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
6SA3
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BU of 6sa3 by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13)
分子名称: Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-16
公開日2020-12-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
4HRH
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BU of 4hrh by Molmil
Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with SMARCA3 Peptide
分子名称: Helicase-like transcription factor, Protein S100-A10, Annexin A2, ...
著者Gao, P, Patel, D.J.
登録日2012-10-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
2MQO
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BU of 2mqo by Molmil
Structural Investigation of hnRNP L bound to RNA
分子名称: Protein Hnrnpl, RNA (5'-R(*CP*AP*CP*AP*CP*A)-3')
著者Blatter, M, Allain, F.
登録日2014-06-24
公開日2015-12-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Investigation of hnRNP L bound to RNA
To be Published
2MQL
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BU of 2mql by Molmil
Structural Investigation of hnRNP L
分子名称: Protein Hnrnpl
著者Blatter, M, Allain, F.
登録日2014-06-24
公開日2015-05-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Signature of the Five-Stranded vRRM Fold Defined by Functional, Structural and Computational Analysis of the hnRNP L Protein.
J.Mol.Biol., 427, 2015
7PPJ
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BU of 7ppj by Molmil
human SLFN5
分子名称: Schlafen family member 5, ZINC ION
著者Lammens, K, Metzner, F.J.
登録日2021-09-14
公開日2022-01-26
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Structural and biochemical characterization of human Schlafen 5.
Nucleic Acids Res., 50, 2022
4HRG
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BU of 4hrg by Molmil
Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with AHNAK1 Peptide
分子名称: Neuroblast differentiation-associated protein AHNAK, Protein S100-A10
著者Gao, P, Patel, D.J.
登録日2012-10-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.0001 Å)
主引用文献SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
6SH7
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BU of 6sh7 by Molmil
Crystal structure of the human DEAH-helicase DHX15 in complex with the NKRF G-patch
分子名称: NF-kappa-B-repressing factor, Pre-mRNA-splicing factor ATP-dependent RNA helicase DHX15
著者Jonas, S, Studer, M.K, Ivanovic, L.
登録日2019-08-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural basis for DEAH-helicase activation by G-patch proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
7V0E
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BU of 7v0e by Molmil
Crystal structure of the macro-oligomeric form of DNMT3B methyltransferase domain.
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE
著者Gao, L, Lu, J, Song, J.
登録日2022-05-10
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.27016377 Å)
主引用文献Structure of DNMT3B homo-oligomer reveals vulnerability to impairment by ICF mutations.
Nat Commun, 13, 2022
4HXN
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BU of 4hxn by Molmil
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor
分子名称: 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
7Q3Z
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DNA/RNA binding protein
分子名称: SODIUM ION, Schlafen family member 5, ZINC ION
著者Huber, E, Lammens, K.
登録日2021-10-29
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and biochemical characterization of human Schlafen 5.
Nucleic Acids Res., 50, 2022

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