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6P54
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Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by ceftriaxone
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Singh, A, Davies, C.
登録日2019-05-29
公開日2019-08-07
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
7SR3
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BU of 7sr3 by Molmil
Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPETTDL
分子名称: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-07
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7SR5
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Single chain trimer HLA-A*02:01 (Y108C, A163C) with Wilms tumor protein peptide RMFPNAPYL
分子名称: VHH, Wilms tumor protein peptide,Beta-2-microglobulin,MHC class I antigen chimera
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-07
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
8D21
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BU of 8d21 by Molmil
Cryo-EM structure of the VRC321 clinical trial, vaccine-elicited, human antibody 1B06 in complex with a stabilized NC99 HA trimer
分子名称: 1B06 Heavy Chain, 1B06 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gorman, J, Kwong, P.D.
登録日2022-05-27
公開日2023-04-12
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献An influenza H1 hemagglutinin stem-only immunogen elicits a broadly cross-reactive B cell response in humans.
Sci Transl Med, 15, 2023
7SR0
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Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPET
分子名称: PHOSPHATE ION, Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-07
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
8T55
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BU of 8t55 by Molmil
Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
分子名称: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-06-12
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
7SSH
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BU of 7ssh by Molmil
Single chain trimer HLA-A*02:01 (Y108A) with HPV.16 E7 peptide YMLDLQPETTDLYC
分子名称: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-11
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
1YSO
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BU of 1yso by Molmil
YEAST CU, ZN SUPEROXIDE DISMUTASE WITH THE REDUCED BRIDGE BROKEN
分子名称: COPPER (I) ION, YEAST CU, ZN SUPEROXIDE DISMUTASE, ...
著者Parge, H.E, Crane, B.R, Tsang, J, Tainer, J.A.
登録日1995-12-21
公開日1996-06-10
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase.
Biochemistry, 35, 1996
1YLI
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BU of 1yli by Molmil
Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase
分子名称: CALCIUM ION, COENZYME A, GLYCEROL, ...
著者Structure 2 Function Project (S2F)
登録日2005-01-19
公開日2005-02-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献STRUCTURE OF HI0827, A THIOESTERASE ACTING ON SHORT-CHAIN ACYL-COA COMPOUNDS
To be Published
7TCV
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BU of 7tcv by Molmil
VDAC K12E mutant
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1
著者Khan, F, Abramson, J.
登録日2021-12-28
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Dynamical control of the mitochondrial beta-barrel channel VDAC by electrostatic and mechanical coupling
To Be Published
1YRP
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BU of 1yrp by Molmil
Catalytic domain of human ZIP kinase phosphorylated at Thr265
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Death-associated protein kinase 3
著者Kursula, P, Vahokoski, J, Wilmanns, M.
登録日2005-02-04
公開日2006-06-20
最終更新日2016-05-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Death-Associated Protein Kinase Activity Is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites
Structure, 2016
6PLD
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BU of 6pld by Molmil
Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with 6-OH-FAD - Green fraction
分子名称: 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, FAD-dependent catabolic D-arginine dehydrogenase DauA, ...
著者Reis, R.A.G, Iyer, A, Agniswamy, J, Gannavaram, S, Weber, I, Gadda, G.
登録日2019-06-30
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity.
Biochemistry, 60, 2021
8DGN
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BU of 8dgn by Molmil
14-3-3 epsilon bound to phosphorylated PEAK2 (pS826) peptide
分子名称: 14-3-3 protein epsilon, Phosphorylated PEAK2 (pS826) peptide
著者Roy, M.J, Hardy, J.M, Lucet, I.S.
登録日2022-06-24
公開日2023-06-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8DGO
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BU of 8dgo by Molmil
Growth Factor Receptor-Bound Protein 2 (Grb2) bound to phosphorylated PEAK3 (pY24) peptide
分子名称: Growth factor receptor bound protein 2, Phosphorylated PEAK3 (pY24) peptide
著者Roy, M.J, Hardy, J.M, Lucet, I.S.
登録日2022-06-24
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8DGM
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BU of 8dgm by Molmil
14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide
分子名称: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Inactive tyrosine-protein kinase PEAK1
著者Roy, M.J, Hardy, J.M, Lucet, I.S.
登録日2022-06-24
公開日2023-06-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8DGP
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BU of 8dgp by Molmil
14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide
分子名称: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Phosphorylated PEAK3 (pS69) peptide, ...
著者Roy, M.J, Hardy, J.M, Lucet, I.S.
登録日2022-06-24
公開日2023-06-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
8SYP
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BU of 8syp by Molmil
Genomic CX3CR1 nucleosome
分子名称: DNA (162-MER), Histone H2A type 2-C, Histone H2B type 2-E, ...
著者Lian, T, Guan, R, Bai, Y.
登録日2023-05-25
公開日2023-11-01
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
7B0B
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BU of 7b0b by Molmil
Fab HbnC3t1p1_C6 bound to SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, IGK@ protein, ...
著者Borenstein-Katz, A, Diskin, R.
登録日2020-11-19
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Somatic hypermutation introduces bystander mutations that prepare SARS-CoV-2 antibodies for emerging variants.
Immunity, 56, 2023
6PAT
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BU of 6pat by Molmil
Active State of Manduca sexta soluble Guanylate Cyclase
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble guanylyl cyclase alpha-1 subunit, Soluble guanylyl cyclase beta-1 subunit
著者Yokom, A.L, Horst, B.G, Marletta, M.A, Hurley, J.H.
登録日2019-06-11
公開日2019-10-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Allosteric activation of the nitric oxide receptor soluble guanylate cyclase mapped by cryo-electron microscopy.
Elife, 8, 2019
6P55
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BU of 6p55 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by cefixime
分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, cefixime, ...
著者Singh, A, Davies, C.
登録日2019-05-29
公開日2019-08-07
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
6P8W
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BU of 6p8w by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2019-06-08
公開日2019-08-28
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
1W1L
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BU of 1w1l by Molmil
STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE: Phe454Tyr Mutant
分子名称: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, FLAVIN-ADENINE DINUCLEOTIDE, VANILLYL-ALCOHOL OXIDASE
著者Van Den Heuvel, R.H.
登録日2004-06-22
公開日2004-07-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Laboratory-Evolved Vanillyl-Alcohol Oxidase Produces Natural Vanillin
J.Biol.Chem., 279, 2004
6HCU
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BU of 6hcu by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ...
著者Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
登録日2018-08-16
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HL0
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Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide
分子名称: Bile acid receptor, NCoA-2 peptide (Nuclear receptor coactivator 2), LYS-GLU-ASN-ALA-LEU-LEU-ARG-TYR-LEU-LEU-ASP-LYS-ASP
著者Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H.
登録日2018-09-10
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Molecular tuning of farnesoid X receptor partial agonism.
Nat Commun, 10, 2019
1W1M
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BU of 1w1m by Molmil
STRUCTURE OF THE OCTAMERIC FLAVOENZYME VANILLYL-ALCOHOL OXIDASE: Glu502Gly Mutant
分子名称: 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, FLAVIN-ADENINE DINUCLEOTIDE, VANILLYL-ALCOHOL OXIDASE
著者Van Den Heuvel, R.H.
登録日2004-06-22
公開日2004-07-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Laboratory-Evolved Vanillyl-Alcohol Oxidase Produces Natural Vanillin
J.Biol.Chem., 279, 2004

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