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5A2L
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BU of 5a2l by Molmil
Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ...
著者Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
登録日2015-05-20
公開日2015-06-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
7R2T
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BU of 7r2t by Molmil
SYNJ2BP complex with a phosphorylated Vangl2 peptide at the P-1 position.
分子名称: CALCIUM ION, GLYCEROL, Synaptojanin-2-binding protein,Annexin, ...
著者Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
登録日2022-02-05
公開日2023-05-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献PDZome-wide and structural characterization of the PDZ-binding motif of VANGL2.
Biochim Biophys Acta Proteins Proteom, 1872, 2024
6Z3R
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BU of 6z3r by Molmil
Structure of SMG1-8-9 kinase complex bound to UPF1-LSQ
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
著者Langer, L.M, Gat, Y, Conti, E.
登録日2020-05-21
公開日2020-06-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure of substrate-bound SMG1-8-9 kinase complex reveals molecular basis for phosphorylation specificity.
Elife, 9, 2020
7QNT
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TarM(Se) native
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Guo, Y, Stehle, T.
登録日2021-12-22
公開日2023-05-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
8CPG
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BU of 8cpg by Molmil
Structure of the AT-Hook 1 peptide from the mammalian HMGA protein in complex with DNA
分子名称: DNA (5'-D(*CP*GP*TP*TP*AP*AP*TP*TP*AP*AP*CP*G)-3'), High mobility group protein HMG-I/HMG-Y, MAGNESIUM ION
著者Boer, D.R, Campos, J.L.
登録日2023-03-02
公開日2024-09-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the HMGA AT-hook 1 domain bound to the minor groove of AT-rich DNA and inhibition by antikinetoplastid drugs.
Sci Rep, 14, 2024
8VTR
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BU of 8vtr by Molmil
Structure of FabS1CE3-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor (orthorhombic form)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
著者Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S.
登録日2024-01-26
公開日2024-07-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
5UOF
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BU of 5uof by Molmil
Crystal structure of alpha,alpha-trehalose 6-phosphate sythase from Burkholderia multivorans
分子名称: 1,2-ETHANEDIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), SERINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-01-31
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of alpha,alpha-trehalose 6-phosphate sythase from Burkholderia multivorans
to be published
8VTP
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Structure of FabS1CE-EPR-1, a high affinity antibody for the erythropoeitin receptor
分子名称: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ...
著者Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sidhu, S.S.
登録日2024-01-26
公開日2024-07-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
6XQP
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BU of 6xqp by Molmil
Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, BROMIDE ION, Beta-2-microglobulin, ...
著者Awad, W, Rossjohn, J.
登録日2020-07-10
公開日2020-08-26
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
5OB9
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BU of 5ob9 by Molmil
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole (crystals grown using ethylene glycol
分子名称: 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ...
著者Pontillo, N, Ferraro, G, Merlino, A.
登録日2017-06-26
公開日2017-07-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
分子名称: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
著者Zhang, H, Chen, H, Ma, G.
登録日2019-03-22
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
3JST
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BU of 3jst by Molmil
Crystal structure of transcriptional coactivator/pterin dehydratase from Brucella Melitensis
分子名称: 1,2-ETHANEDIOL, Putative pterin-4-alpha-carbinolamine dehydratase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-10
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of transcriptional coactivator/pterin dehydratase from Brucella Melitensis
To be Published
8S1A
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BU of 8s1a by Molmil
c-KIT kinase domain in complex with crenolanib
分子名称: 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, Mast/stem cell growth factor receptor Kit
著者Teuber, A, Mueller, M.P, Rauh, D.
登録日2024-02-15
公開日2025-09-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献c-KIT kinase domain in complex with crenolanib
To Be Published
1FOA
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BU of 1foa by Molmil
CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINYLTRANSFERASE I
分子名称: ALPHA-1,3-MANNOSYL-GLYCOPROTEIN BETA-1,2-N-ACETYLGLUCOSAMINYLTRANSFERASE, GLYCEROL, MANGANESE (II) ION, ...
著者Unligil, U.M, Zhou, S, Yuwaraj, S, Sarkar, M, Schachter, H, Rini, J.M.
登録日2000-08-26
公開日2001-05-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of rabbit N-acetylglucosaminyltransferase I: catalytic mechanism and a new protein superfamily.
EMBO J., 19, 2000
8KEC
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BU of 8kec by Molmil
Cyanophage A-1(L) tail fiber
分子名称: Long tail fiber, short tail fiber
著者Yu, R.C, Li, Q, Zhou, C.Z.
登録日2023-08-11
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of the intact tail machine of Anabaena myophage A-1(L).
Nat Commun, 15, 2024
5LHB
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BU of 5lhb by Molmil
POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017262
分子名称: 1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ...
著者Tucker, J, Barkauskaite, E.
登録日2016-07-10
公開日2016-10-12
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献First-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to Olaparib.
ACS Chem. Biol., 11, 2016
8S14
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c-KIT kinase domain in complex with sunitinib
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ...
著者Teuber, A, Niggenaber, J, Landel, I, Mueller, M.P, Rauh, D.
登録日2024-02-15
公開日2025-09-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献c-KIT kinase domain in complex with sunitinib
To Be Published
8OFL
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BU of 8ofl by Molmil
Coproporphyrin III - LmCpfC complex soaked 4min with Fe2+
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Coproporphyrin III ferrochelatase, ...
著者Gabler, T, Hofbauer, S.
登録日2023-03-16
公開日2023-04-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iron insertion into coproporphyrin III-ferrochelatase complex: Evidence for an intermediate distorted catalytic species.
Protein Sci., 32, 2023
6XRM
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BU of 6xrm by Molmil
Crystal structure of human PI3K-gamma in complex with Compound 4
分子名称: 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Walker, N.P, Jeffrey, J.L.
登録日2020-07-13
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
5B0X
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BU of 5b0x by Molmil
Crystal structure of the CK2a/benzoic acid derivative complex
分子名称: 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid, Casein kinase II subunit alpha
著者Kinoshita, T, Nakanishi, I.
登録日2015-11-13
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors
Bioorg.Med.Chem., 24, 2016
6HMX
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RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine
分子名称: 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Haile, P.A.
登録日2018-09-13
公開日2018-11-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.
ACS Med Chem Lett, 9, 2018
1NUV
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BU of 1nuv by Molmil
The Leadzyme Ribozyme Bound to Mg(H2O)6(II) and Sr(II) at 1.8 A resolution
分子名称: 5'-R(*CP*GP*GP*AP*CP*CP*GP*AP*GP*CP*CP*AP*G)-3', 5'-R(*GP*CP*UP*GP*GP*GP*AP*GP*UP*CP*C)-3', MAGNESIUM ION, ...
著者Wedekind, J.E, Mckay, D.B.
登録日2003-02-01
公開日2003-08-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of the leadzyme at 1.8 A resolution: metal ion binding and the implications for catalytic mechanism and allo site ion regulation.
BIOCHEMISTRY, 42, 2003
5LOT
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BU of 5lot by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetyl-CoA.
分子名称: 3-ketoacyl-CoA thiolase-like protein, ACETYL COENZYME *A
著者Harijan, R.K, Kiema, T.-R, Wierenga, R.K.
登録日2016-08-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystallographic substrate binding studies of Leishmania mexicana SCP2-thiolase (type-2): unique features of oxyanion hole-1.
Protein Eng. Des. Sel., 30, 2017
6S7B
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BU of 6s7b by Molmil
Crystal structure of CARM1 in complex with inhibitor UM249
分子名称: 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine, Histone-arginine methyltransferase CARM1
著者Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
登録日2019-07-04
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.659 Å)
主引用文献Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
7A5H
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BU of 7a5h by Molmil
Structure of the split human mitoribosomal large subunit with rescue factors mtRF-R and MTRES1
分子名称: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
著者Desai, N, Yang, H, Chandrasekaran, V, Kazi, R, Minczuk, M, Ramakrishnan, V.
登録日2020-08-21
公開日2020-12-23
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Elongational stalling activates mitoribosome-associated quality control.
Science, 370, 2020

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