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7BHX
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BU of 7bhx by Molmil
Crystal structure of MAT2a bound to allosteric inhibitor (compound 31)
Descriptor: 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
Deposit date:2021-01-11
Release date:2021-04-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
2H4M
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BU of 2h4m by Molmil
Karyopherin Beta2/Transportin-M9NLS
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, Transportin-1
Authors:Chook, Y.M, Cansizoglu, A.E.
Deposit date:2006-05-24
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Rules for nuclear localization sequence recognition by karyopherin beta 2.
Cell(Cambridge,Mass.), 126, 2006
2HDE
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BU of 2hde by Molmil
Solution Structure of Human SAP18
Descriptor: Histone deacetylase complex subunit SAP18
Authors:McCallum, S.A, Yin, J.P, Pan, B, Fairbrother, W.J.
Deposit date:2006-06-20
Release date:2007-04-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of SAP18: a ubiquitin fold in histone deacetylase complex assembly.
Biochemistry, 45, 2006
8PQX
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BU of 8pqx by Molmil
p97 (VCP) mutant - F539A state III
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2023-07-12
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:p97 (VCP) mutant - F539A state III
To Be Published
6ZMD
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BU of 6zmd by Molmil
Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP
Descriptor: Endoplasmic reticulum chaperone BiP, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Fauser, J, Gulen, B, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V.
Deposit date:2020-07-02
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD.
Nat Commun, 12, 2021
7A5Y
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BU of 7a5y by Molmil
Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg
Descriptor: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
Authors:Morris, E.R, Kunzelmann, S, Caswell, S.J, Purkiss, A, Taylor, I.A.
Deposit date:2020-08-24
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers.
Biochemistry, 60, 2021
6ZXO
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BU of 6zxo by Molmil
Crystal structure of His-tagged human thymidylate synthase (HT-hTS) in complex with FdUMP and Raltitrexed (Tomudex)
Descriptor: 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TOMUDEX, ...
Authors:Pozzi, C, Mangani, S.
Deposit date:2020-07-30
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Bases for the Synergistic Inhibition of Human Thymidylate Synthase and Ovarian Cancer Cell Growth by Drug Combinations.
Cancers (Basel), 13, 2021
8Q1N
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BU of 8q1n by Molmil
Cyclic peptide binder of the WBM-site of WDR5
Descriptor: Cyclic peptide inhibitor, WD repeat-containing protein 5
Authors:Schmeing, S, Chang, J.Y, t Hart, P, Gasper, R.
Deposit date:2023-08-01
Release date:2023-09-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:Macrocyclic peptides as inhibitors of WDR5-lncRNA interactions.
Chem.Commun.(Camb.), 59, 2023
7CDC
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BU of 7cdc by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDF
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BU of 7cdf by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDG
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BU of 7cdg by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDD
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BU of 7cdd by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDE
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BU of 7cde by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
Authors:Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
2KXN
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BU of 2kxn by Molmil
NMR structure of human Tra2beta1 RRM in complex with AAGAAC RNA
Descriptor: 5'-R(*AP*AP*GP*AP*AP*C)-3', Transformer-2 protein homolog beta
Authors:Clery, A, Jayne, S, Benderska, N, Dominguez, C, Stamm, S, Allain, F.H.-T.
Deposit date:2010-05-10
Release date:2011-03-16
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular basis of purine-rich RNA recognition by the human SR-like protein Tra2-beta1
Nat.Struct.Mol.Biol., 18, 2011
2KUL
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BU of 2kul by Molmil
Solution structure of human vaccinia related kinase 1(VRK1)
Descriptor: Serine/threonine-protein kinase VRK1
Authors:Shin, J, Yoon, H.
Deposit date:2010-02-19
Release date:2011-02-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of human vaccinia related kinase 1(VRK1)
To be Published
7CUX
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BU of 7cux by Molmil
Crystal structure of human Schlafen 5 N'-terminal domain (SLFN5-N) involved in ssRNA cleaving and DNA binding
Descriptor: Schlafen family member 5, ZINC ION
Authors:Yang, J.Y, Luo, M, Ou, J.Y, Wang, Z.W, Gao, S.
Deposit date:2020-08-25
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.29477072 Å)
Cite:Crystal structure of human Schlafen 5 N'-terminal domain (SLFN5-N) involved in ssRNA cleaving and DNA binding
To Be Published
2LBD
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BU of 2lbd by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO ALL-TRANS RETINOIC ACID
Descriptor: RETINOIC ACID, RETINOIC ACID RECEPTOR GAMMA
Authors:Renaud, J.-P, Rochel, N, Ruff, M, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:1997-08-19
Release date:1997-11-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of the RAR-gamma ligand-binding domain bound to all-trans retinoic acid.
Nature, 378, 1995
7CRU
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BU of 7cru by Molmil
hnRNPK NLS in complex with Importin alpha 1 (KPNA2)
Descriptor: ACETATE ION, GLYCEROL, Heterogeneous nuclear ribonucleoprotein K, ...
Authors:Yao, J, Sun, Q.
Deposit date:2020-08-14
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nuclear import receptors and hnRNPK mediates nuclear import and stress granule localization of SIRLOIN.
Cell.Mol.Life Sci., 78, 2021
7CYU
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BU of 7cyu by Molmil
Crystal structure of human BAF57 HMG domain
Descriptor: SULFATE ION, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily E member 1
Authors:Heo, Y, Yun, J.H, Park, J.H, Lee, W.
Deposit date:2020-09-04
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the HMG domain of human BAF57 and its interaction with four-way junction DNA.
Biochem.Biophys.Res.Commun., 533, 2020
7D43
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BU of 7d43 by Molmil
eIF2B-eIF2(aP), aPg complex
Descriptor: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ...
Authors:Kashiwagi, K, Ito, T.
Deposit date:2020-09-22
Release date:2020-12-09
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
2I4I
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BU of 2i4i by Molmil
Crystal Structure of human DEAD-box RNA helicase DDX3X
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-dependent RNA helicase DDX3X
Authors:Hogbom, M, Karlberg, T, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Wallden, K, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2006-08-22
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Conserved Domains 1 and 2 of the Human DEAD-box Helicase DDX3X in Complex with the Mononucleotide AMP
J.Mol.Biol., 372, 2007
2HYU
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BU of 2hyu by Molmil
Human Annexin A2 with heparin tetrasaccharide bound
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Annexin A2, CALCIUM ION
Authors:Shao, C, Head, J.F, Seaton, B.A.
Deposit date:2006-08-07
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2.
J.Biol.Chem., 281, 2006
2H14
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BU of 2h14 by Molmil
Crystal of WDR5 (apo-form)
Descriptor: WD-repeat protein 5
Authors:Couture, J.F, Collazo, E, Trievel, R.C.
Deposit date:2006-05-15
Release date:2006-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Molecular recognition of histone H3 by the WD40 protein WDR5.
Nat.Struct.Mol.Biol., 13, 2006
2GPP
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BU of 2gpp by Molmil
Estrogen Related Receptor-gamma ligand binding domain complexed with a RIP140 peptide and synthetic ligand GSK4716
Descriptor: 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1
Authors:Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T.
Deposit date:2006-04-18
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
2LEH
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BU of 2leh by Molmil
Solution structure of the core SMN-Gemin2 complex
Descriptor: Survival motor neuron protein, Survival of motor neuron protein-interacting protein 1
Authors:Sarachan, K.L, Valentine, K, Gupta, K, Moorman, V, Gledhill, J, Bernens, M, Tommos, C, Wand, A.J, Van Duyne, G.
Deposit date:2011-06-15
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the core SMN-Gemin2 complex.
Biochem.J., 445, 2012

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