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4NNY
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Crystal structure of non-phosphorylated form of PKD2 phosphopeptide bound to HLA-A2
分子名称: Beta-2-microglobulin, CADMIUM ION, GLYCEROL, ...
著者Mohammed, F, Stones, D.H, Willcox, B.E.
登録日2013-11-19
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The antigenic identity of human class I MHC phosphopeptides is critically dependent upon phosphorylation status.
Oncotarget, 8, 2017
4NO5
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Crystal structure of non-phosphorylated form of AMPD2 phosphopeptide bound to HLA-A2
分子名称: 1,2-ETHANEDIOL, AMP deaminase 2, Beta-2-microglobulin, ...
著者Mohammed, F, Stones, D.H, Willcox, B.E.
登録日2013-11-19
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献The antigenic identity of human class I MHC phosphopeptides is critically dependent upon phosphorylation status.
Oncotarget, 8, 2017
4NYW
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BU of 4nyw by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
分子名称: (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-12-11
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
4NOX
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BU of 4nox by Molmil
Structure of the nine-bladed beta-propeller of eIF3b
分子名称: CHLORIDE ION, Eukaryotic translation initiation factor 3 subunit B
著者Liu, Y, Neumann, P, Kuhle, B, Monecke, T, Ficner, R.
登録日2013-11-20
公開日2014-09-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.722 Å)
主引用文献Translation initiation factor eIF3b contains a nine-bladed beta-propeller and interacts with the 40S ribosomal subunit
Structure, 22, 2014
4EH4
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BU of 4eh4 by Molmil
Human p38 MAP kinase in complex with NP-F3 and RL87
分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EJF
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BU of 4ejf by Molmil
Allosteric peptides that bind to a caspase zymogen and mediate caspase tetramerization
分子名称: Caspase-6, PHOSPHATE ION, phage-derived peptide 419
著者Murray, J.M.
登録日2012-04-06
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6465 Å)
主引用文献Allosteric peptides bind a caspase zymogen and mediate caspase tetramerization.
Nat.Chem.Biol., 8, 2012
4NTO
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BU of 4nto by Molmil
Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C2 ceramide-1-phosphate (d18:1/2:0) at 2.15 Angstrom resolution
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, DI(HYDROXYETHYL)ETHER, accelerated-cell-death 11
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-12-02
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
4NU5
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Crystal Structure of PTDH R301A
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphonate dehydrogenase
著者Nair, S.K, Chekan, J.R.
登録日2013-12-03
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical rescue and inhibition studies to determine the role of arg301 in phosphite dehydrogenase.
Plos One, 9, 2014
4EM3
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BU of 4em3 by Molmil
Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor MeVS-CoA
分子名称: CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Wallace, B.D, Edwards, J.S, Claiborne, A, Redinbo, M.R.
登録日2012-04-11
公開日2012-10-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
4NVN
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BU of 4nvn by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NCK
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BU of 4nck by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 R797G mutation
分子名称: CHLORIDE ION, DNA double-strand break repair Rad50 ATPase, MAGNESIUM ION, ...
著者Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
登録日2013-10-24
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
4EQ1
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BU of 4eq1 by Molmil
Crystal Structure of the ARNT PAS-B homodimer
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Aryl hydrocarbon receptor nuclear translocator
著者Gardner, K.H, Key, J.M.
登録日2012-04-17
公開日2013-04-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Regulating the ARNT/TACC3 Axis: Multiple Approaches to Manipulating Protein/Protein Interactions with Small Molecules.
Acs Chem.Biol., 8, 2013
4ER7
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BU of 4er7 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor SGC0947
分子名称: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ES1
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BU of 4es1 by Molmil
Double-stranded Endonuclease Activity in B. halodurans Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR)-associated Cas2 Protein
分子名称: BH0342 protein
著者Ke, A, Nam, K.H.
登録日2012-04-21
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Double-stranded endonuclease activity in Bacillus halodurans clustered regularly interspaced short palindromic repeats (CRISPR)-associated Cas2 protein.
J. Biol. Chem., 287, 2012
4NF1
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BU of 4nf1 by Molmil
Structure of N-acetyltransferase domain of X. fastidiosa NAGS/K without his-tag
分子名称: Acetylglutamate kinase, CHLORIDE ION, GLYCEROL, ...
著者Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M, Shi, D.
登録日2013-10-30
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3986 Å)
主引用文献Structures of the N-acetyltransferase domain of Xylella fastidiosaN-acetyl-L-glutamate synthase/kinase with and without a His tag bound to N-acetyl-L-glutamate.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4NGQ
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BU of 4ngq by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4EXT
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BU of 4ext by Molmil
Structure of polymerase-interacting domain of human Rev1 in complex with translesional synthesis polymerase zeta
分子名称: DNA repair protein REV1, Mitotic spindle assembly checkpoint protein MAD2B, peptide from DNA polymerase zeta catalytic subunit
著者Liu, D.N, Ryu, K.S, Ko, J.S, Choi, B.S.
登録日2012-05-01
公開日2013-05-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into the scaffold mechanism of human Rev1 in translesional synthesis revealed by structural studies on its polymerase-interacting domain
To be Published
4NIM
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BU of 4nim by Molmil
Crystal Structure of a Short Chain Dehydrogenase from Brucella melitensis
分子名称: 1,2-ETHANEDIOL, Versicolorin reductase
著者Dranow, D.M, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-11-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a Short Chain Dehydrogenase from Brucella melitensis
TO BE PUBLISHED
4NJ4
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BU of 4nj4 by Molmil
Crystal Structure of Human ALKBH5
分子名称: GLYCEROL, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2013-11-08
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure of human RNA N6-methyladenine demethylase ALKBH5 provides insights into its mechanisms of nucleic acid recognition and demethylation.
Nucleic Acids Res., 42, 2014
4ER8
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BU of 4er8 by Molmil
Structure of the REP associates tyrosine transposase bound to a REP hairpin
分子名称: DNA (32-MER), NICKEL (II) ION, TnpArep for protein
著者Messing, S.A.J, Ton-Hoang, B, Hickman, A.B, Ghirlando, R, Chandler, M, Dyda, F.
登録日2012-04-19
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The processing of repetitive extragenic palindromes: the structure of a repetitive extragenic palindrome bound to its associated nuclease.
Nucleic Acids Res., 40, 2012
4ERQ
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BU of 4erq by Molmil
X-ray structure of WDR5-MLL2 Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase MLL2, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-20
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
4NP3
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BU of 4np3 by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine, CD44 antigen, ...
著者Liu, L.K, Finzel, B.
登録日2013-11-20
公開日2014-04-16
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
4EWG
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BU of 4ewg by Molmil
Crystal structure of a Beta-ketoacyl synthase from Burkholderia phymatum STM815
分子名称: 1,2-ETHANEDIOL, Beta-ketoacyl synthase, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-26
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4NPS
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Crystal Structure of Bep1 protein (VirB-translocated Bartonella effector protein) from Bartonella clarridgeiae
分子名称: ACETATE ION, Bartonella effector protein (Bep) substrate of VirB T4SS
著者Dranow, D.M, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-11-22
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021
4NUF
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Crystal Structure of SHP/EID1
分子名称: EID1 peptide, Maltose ABC transporter periplasmic protein, Nuclear receptor subfamily 0 group B member 2 chimeric construct, ...
著者Zhi, X, Zhou, X.E, He, Y, Zechner, C, Suino-Powell, K.M, Kliewer, S.A, Melcher, K, Mangelsdorf, D.J, Xu, H.E.
登録日2013-12-03
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into gene repression by the orphan nuclear receptor SHP.
Proc.Natl.Acad.Sci.USA, 111, 2014

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