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4JS8
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BU of 4js8 by Molmil
Crystal structure of TTK kinase domain with an inhibitor: 401348
Descriptor: 4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ...
Authors:Qiu, W, Plotnikov, A.N, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y.
Deposit date:2013-03-22
Release date:2014-03-26
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of TTK kinase domain with an inhibitor: 401348
To be Published
4H9O
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BU of 4h9o by Molmil
Complex structure 2 of DAXX/H3.3(sub5,G90M)/H4
Descriptor: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
Authors:Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J.
Deposit date:2012-09-24
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
6BZO
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BU of 6bzo by Molmil
Mtb RNAP Holo/RbpA/Fidaxomicin/upstream fork DNA
Descriptor: DNA (26-MER), DNA (32-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
Deposit date:2017-12-25
Release date:2018-03-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018
2OCS
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BU of 2ocs by Molmil
The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2)
Descriptor: 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2, THIOCYANATE ION
Authors:Papagrigoriou, E, Phillips, C, Gileadi, C, Elkins, J, Salah, E, Berridge, G, Savitsky, P, Gorrec, F, Umeano, C, Ugochukwu, E, Gileadi, O, Burgess, N, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-12-21
Release date:2007-01-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2)
To be Published
6C06
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BU of 6c06 by Molmil
Mycobacterium tuberculosis RNAP Holo/RbpA/Fidaxomicin
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M.
Deposit date:2017-12-27
Release date:2018-03-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.15 Å)
Cite:Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018
4GNF
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BU of 4gnf by Molmil
Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-15
Descriptor: Histone H3.3, Histone-lysine N-methyltransferase NSD3, ZINC ION
Authors:Li, F, He, C, Wu, J, Shi, Y.
Deposit date:2012-08-17
Release date:2013-01-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
6G9T
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BU of 6g9t by Molmil
CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE
Descriptor: Beta-lactamase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Zavala, A, Retailleau, P, Naas, T, Iorga, B.
Deposit date:2018-04-11
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant.
Acs Infect Dis., 5, 2019
4N7Z
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BU of 4n7z by Molmil
Crystal structure of human Plk4 cryptic polo box (CPB) in complex with a Cep192 N-terminal fragment
Descriptor: Centrosomal protein of 192 kDa, Serine/threonine-protein kinase PLK4
Authors:Park, S.-Y, Park, J.-E, Tian, L, Kim, T.-S, Yang, W, Lee, K.S.
Deposit date:2013-10-16
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular basis for unidirectional scaffold switching of human Plk4 in centriole biogenesis.
Nat.Struct.Mol.Biol., 21, 2014
6G9C
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BU of 6g9c by Molmil
Crystal structure of immunomodulatory active chitinase from Trichuris suis, TsES1
Descriptor: 1,2-ETHANEDIOL, Immunomodulatory active chitinase
Authors:Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U.
Deposit date:2018-04-10
Release date:2019-04-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease.
J Immunol Res, 2021, 2021
5YXH
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BU of 5yxh by Molmil
Structure of Rheb-GDP
Descriptor: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Mahoney, S.J.
Deposit date:2017-12-05
Release date:2018-02-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A small molecule inhibitor of Rheb selectively targets mTORC1 signaling.
Nat Commun, 9, 2018
4GNG
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BU of 4gng by Molmil
Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3K9me3 peptide
Descriptor: GLYCEROL, Histone H3.3, Histone-lysine N-methyltransferase NSD3, ...
Authors:Li, F, He, C, Wu, J, Shi, Y.
Deposit date:2012-08-17
Release date:2013-01-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
5CUB
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BU of 5cub by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 314268-40-1 (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-24
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 314268-40-1 (SGC - Diamond I04-1 fragment screening)
To be published
5CUG
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BU of 5cug by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 4-Acetamidobenzoic acid (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, PARA ACETAMIDO BENZOIC ACID
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-24
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 4-Acetamidobenzoic acid (SGC - Diamond I04-1 fragment screening)
To be published
6GBT
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BU of 6gbt by Molmil
17beta-hydroxysteroid dehydrogenase type 14 Mutant Y253A in complex with a non-steroidal inhibitor
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Badran, M, Klebe, G, Heine, A, Marchais-Oberwinkler, S.
Deposit date:2018-04-16
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:17beta Hydroxysteroid Dehydrogenase type 14 mutant C255A in complex with non-steroidal inhibitor
To Be Published
5D67
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BU of 5d67 by Molmil
Crystal structure of an EF-Hand calcium binding domain of CAP-Binding Protein Complex-Interacting Protein 1 (EFCAB6) from Homo sapiens at 2.00 A resolution
Descriptor: EF-hand calcium-binding domain-containing protein 6, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Nuclear Receptor Signaling Code Biology, Partnership for Nuclear Receptor Signaling Code Biology (NHRS)
Deposit date:2015-08-11
Release date:2015-09-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an EF-Hand calcium binding domain of CAP-Binding Protein Complex-Interacting Protein 1 (EFCAB6) from Homo sapiens at 2.00 A resolution
To be published
5CQ4
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BU of 5cq4 by Molmil
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 3'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 1-(3-hydroxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B, ...
Authors:Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-07-21
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 3'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
To be published
6FN5
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BU of 6fn5 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-02-02
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:None
To be published
5ZBH
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BU of 5zbh by Molmil
The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885
Descriptor: Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Authors:Yang, Z, Han, S, Zhao, Q, Wu, B.
Deposit date:2018-02-11
Release date:2018-04-25
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
2OBI
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BU of 2obi by Molmil
Crystal structure of the Selenocysteine to Cysteine Mutant of human phospholipid hydroperoxide glutathione peroxidase (GPx4)
Descriptor: Phospholipid hydroperoxide glutathione peroxidase (GPX4)
Authors:Scheerer, P, Krauss, N, Hoehne, W.
Deposit date:2006-12-19
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for catalytic activity and enzyme polymerization of phospholipid hydroperoxide glutathione peroxidase-4 (GPx4).
Biochemistry, 46, 2007
6BTH
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BU of 6bth by Molmil
Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with 2-arachidonoylglycerol (2-AG)
Descriptor: 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2
Authors:Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M.
Deposit date:2017-12-06
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight.
Sci Adv, 6, 2020
5CVN
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BU of 5cvn by Molmil
WDR48 (2-580):USP46~ubiquitin ternary complex
Descriptor: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, ...
Authors:Harris, S.F, Yin, J.
Deposit date:2015-07-27
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
5YWZ
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BU of 5ywz by Molmil
AID-SUN tandem of SUN1
Descriptor: SUN domain-containing protein 1
Authors:Xu, Y, Li, W, Feng, W.
Deposit date:2017-11-30
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural conservation of the autoinhibitory domain in SUN proteins
Biochem. Biophys. Res. Commun., 496, 2018
5YX2
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BU of 5yx2 by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with DNA containing two CpG sites
Descriptor: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
Authors:Zhang, Z.M, Song, J.
Deposit date:2017-12-01
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
4N4I
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BU of 4n4i by Molmil
Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha in complex with histone H3.3K36me3
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Peptide from Histone H3.3, ...
Authors:Li, Y, Ren, Y, Li, H.
Deposit date:2013-10-08
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:ZMYND11 links histone H3.3K36me3 to transcription elongation and tumour suppression
Nature, 508, 2014
6BSX
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BU of 6bsx by Molmil
CRYSTAL STRUCTURE OF RHEB IN COMPLEX WITH COMPOUND 1 AT 1.65A RESOLUTION
Descriptor: (5,6-dimethyl-1H-benzimidazol-2-yl)methanol, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Mahoney, S.J.
Deposit date:2017-12-04
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A small molecule inhibitor of Rheb selectively targets mTORC1 signaling.
Nat Commun, 9, 2018

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數據於2024-07-17公開中

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