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5QTY
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BU of 5qty by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR ethyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2019-11-13
公開日2020-01-29
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 30, 2020
4WCX
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BU of 4wcx by Molmil
Crystal structure of HydG: A maturase of the [FeFe]-hydrogenase
分子名称: ALANINE, Biotin and thiamin synthesis associated, FE (III) ION, ...
著者Dinis, P.C, Harmer, J.E, Driesener, R.C, Roach, P.L.
登録日2014-09-05
公開日2015-02-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献X-ray crystallographic and EPR spectroscopic analysis of HydG, a maturase in [FeFe]-hydrogenase H-cluster assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
4V5G
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BU of 4v5g by Molmil
The crystal structure of the 70S ribosome bound to EF-Tu and tRNA
分子名称: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Schmeing, T.M, Voorhees, R.M, Ramakrishnan, V.
登録日2009-09-01
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The crystal structure of the ribosome bound to EF-Tu and aminoacyl-tRNA.
Science, 326, 2009
4W70
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BU of 4w70 by Molmil
Periplasmically Produced Monomeric Single Domain Antibody (sdAb) C22A/C99V variant against Staphylococcal enterotoxin B (SEB) at pH 7.0
分子名称: SULFATE ION, Single Domain Antibody
著者George, J, Legler, P.M.
登録日2014-08-21
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural and mutational analysis of a monomeric and dimeric form of a single domain antibody with implications for protein misfolding.
Proteins, 82, 2014
4W81
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BU of 4w81 by Molmil
Periplasmically Produced Monomeric Single Domain Antibody (sdAb) C22A/C99V variant against Staphylococcal enterotoxin B (SEB) at pH 8.0
分子名称: SULFATE ION, Single Domain Antibody
著者George, J, Legler, P.M.
登録日2014-08-22
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and mutational analysis of a monomeric and dimeric form of a single domain antibody with implications for protein misfolding.
Proteins, 82, 2014
4WD5
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BU of 4wd5 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2014-09-07
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
4WCI
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BU of 4wci by Molmil
Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3
分子名称: CD2-associated protein, Ras and Rab interactor 3, SULFATE ION
著者Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
登録日2014-09-04
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
4V68
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BU of 4v68 by Molmil
T. thermophilus 70S ribosome in complex with mRNA, tRNAs and EF-Tu.GDP.kirromycin ternary complex, fitted to a 6.4 A Cryo-EM map.
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Schuette, J.-C, Spahn, C.M.T.
登録日2008-12-11
公開日2014-07-09
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献GTPase activation of elongation factor EF-Tu by the ribosome during decoding
Embo J., 28, 2009
4W68
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BU of 4w68 by Molmil
Cytoplasmically Produced Homodimeric Single Domain Antibody (sdAb) C22A/C99V variant against Staphylococcal enterotoxin B (SEB)
分子名称: SULFATE ION, Single domain antibody
著者George, J, Legler, P.M.
登録日2014-08-20
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mutational analysis of a monomeric and dimeric form of a single domain antibody with implications for protein misfolding.
Proteins, 82, 2014
4WO7
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BU of 4wo7 by Molmil
Crystal Structure of PrsA from Bacillus subtilis
分子名称: Foldase protein PrsA
著者Jakob, R.P, Maier, T.
登録日2014-10-15
公開日2014-12-24
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Dimeric Structure of the Bacterial Extracellular Foldase PrsA.
J.Biol.Chem., 290, 2015
4UTP
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BU of 4utp by Molmil
Crystal structure of pneumococcal surface antigen PsaA in the Cd- bound, closed state
分子名称: CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
著者Luo, Z, Counago, R.M, Maher, M, Kobe, B.
登録日2014-07-22
公開日2014-08-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Nat Commun, 6, 2015
4UTO
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BU of 4uto by Molmil
Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
著者Luo, Z, Counago, R.M, Maher, M, Kobe, B.
登録日2014-07-22
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Nat Commun, 6, 2015
8CR1
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BU of 8cr1 by Molmil
Homo sapiens Get1/Get2 heterotetramer in complex with a Get3 dimer
分子名称: ATPase ASNA1, Guided entry of tail-anchored proteins factor CAMLG,Guided entry of tail-anchored proteins factor 1,GET2-GET1, ZINC ION
著者McDowell, M.A, Heimes, M, Wild, K, Sinning, I.
登録日2023-03-07
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The GET insertase exhibits conformational plasticity and induces membrane thinning.
Nat Commun, 14, 2023
6DJ9
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BU of 6dj9 by Molmil
Structure of the USP15 DUSP domain in complex with a high-affinity Ubiquitin Variant (UbV)
分子名称: Ubiquitin Variant UbV 15.D, Ubiquitin carboxyl-terminal hydrolase 15
著者Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
登録日2018-05-24
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
6E10
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BU of 6e10 by Molmil
PTEX Core Complex in the Engaged (Extended) State
分子名称: Endogenous cargo polypeptide, Exported protein 2, Heat shock protein 101, ...
著者Ho, C, Lai, M, Zhou, Z.H.
登録日2018-07-08
公開日2018-08-22
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Malaria parasite translocon structure and mechanism of effector export.
Nature, 561, 2018
6E11
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BU of 6e11 by Molmil
PTEX Core Complex in the Resetting (Compact) State
分子名称: Endogenous cargo polypeptide, Exported protein 2, Heat shock protein 101, ...
著者Ho, C, Lai, M, Zhou, Z.H.
登録日2018-07-08
公開日2018-08-22
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (4.23 Å)
主引用文献Malaria parasite translocon structure and mechanism of effector export.
Nature, 561, 2018
6E5P
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BU of 6e5p by Molmil
Backbone model based on cryo-EM map at 8.5 A of domain-swapped, glycan-reactive, neutralizing antibody 2G12 bound to HIV-1 Env BG505 DS-SOSIP, which was also bound to CD4-binding site antibody VRC03
分子名称: 2G12 Light chain, 2G12 heavy chain, Envelope glycoprotein gp120, ...
著者Acharya, P, Kwong, P.D.
登録日2018-07-21
公開日2019-02-13
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (8.8 Å)
主引用文献Structural Survey of Broadly Neutralizing Antibodies Targeting the HIV-1 Env Trimer Delineates Epitope Categories and Characteristics of Recognition.
Structure, 27, 2019
6EB1
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BU of 6eb1 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid
分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase
著者Lindenberger, J.J, Kobe, M, Kvaratskhelia, M.
登録日2018-08-03
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
6ECW
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BU of 6ecw by Molmil
StiD O-MT residues 956-1266
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
著者Skiba, M.A, Bivins, M.M, Smith, J.L.
登録日2018-08-08
公開日2018-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
6EDX
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BU of 6edx by Molmil
Crystal Structure of SGK3 PX domain
分子名称: GLYCEROL, Serine/threonine-protein kinase Sgk3
著者Chandra, M, Collins, B.M.
登録日2018-08-12
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.009 Å)
主引用文献Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
6EQB
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BU of 6eqb by Molmil
HLA class I histocompatibility antigen
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL, ...
著者Rizkallah, P.J, Cole, D.K.
登録日2017-10-12
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献TCR-induced alteration of primary MHC peptide anchor residue.
Eur.J.Immunol., 49, 2019
6E8T
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BU of 6e8t by Molmil
Structure of the Mango-III (A10U) aptamer bound to TO1-Biotin
分子名称: 1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium, POTASSIUM ION, RNA (35-MER), ...
著者Trachman, R.J, Ferre-D'Amare, A.R.
登録日2018-07-31
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and functional reselection of the Mango-III fluorogenic RNA aptamer.
Nat. Chem. Biol., 15, 2019
6E8Z
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BU of 6e8z by Molmil
Binary complex of Human glycerol 3-phosphate dehydrogenase with NAD
分子名称: 1,2-ETHANEDIOL, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ...
著者Mydy, L.S, Gulick, A.M.
登録日2018-07-31
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
6ECX
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StiE O-MT residues 942-1257
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, StiE protein
著者Skiba, M.A, Bivins, M.B, Smith, J.L.
登録日2018-08-08
公開日2018-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
5QQP
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2019-05-20
公開日2019-09-18
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019

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