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6PQ8
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Crystal structure of TLA-1 S70G extended spectrum Beta-lactamase in complex with clavulanic acid
分子名称: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ACETATE ION, ASPARTIC ACID, ...
著者Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Almazan, C.
登録日2019-07-08
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site.
Biochem.Biophys.Res.Commun., 522, 2020
5EN2
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BU of 5en2 by Molmil
Molecular basis for antibody-mediated neutralization of New World hemorrhagic fever mammarenaviruses
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, CHLORIDE ION, ...
著者Mahmutovic, S, Clark, L, Levis, S, Briggiler, A, Enria, D, Harrison, S.C, Abraham, J.
登録日2015-11-09
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献Molecular Basis for Antibody-Mediated Neutralization of New World Hemorrhagic Fever Mammarenaviruses.
Cell Host Microbe, 18, 2015
7U99
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BU of 7u99 by Molmil
EGFR kinase in complex with a macrocyclic inhibitor
分子名称: 19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine, CITRATE ANION, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2022-03-10
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.
J.Med.Chem., 65, 2022
7U98
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BU of 7u98 by Molmil
EGFR(T790M/V948R) in complex with a macrocyclic inhibitor
分子名称: 19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2022-03-10
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.
J.Med.Chem., 65, 2022
6JPN
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BU of 6jpn by Molmil
Crystal structure of the catalytic domain of a multi-domain alginate lyase Dp0100 from thermophilic bacterium Defluviitalea phaphyphila
分子名称: Alginate lyase, CALCIUM ION, MAGNESIUM ION, ...
著者Ji, S.Q, Dix, S.R, Aziz, A, Sedelnikova, S.E, Li, F.L, Rice, D.W.
登録日2019-03-27
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The molecular basis of endolytic activity of a multidomain alginate lyase fromDefluviitalea phaphyphila, a representative of a new lyase family, PL39.
J.Biol.Chem., 294, 2019
7U9A
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BU of 7u9a by Molmil
EGFR in complex with a macrocyclic inhibitor
分子名称: 4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol, CITRATE ANION, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2022-03-10
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.
J.Med.Chem., 65, 2022
6NIN
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BU of 6nin by Molmil
Rhodobacter sphaeroides bc1 with STIGMATELLIN A
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Cytochrome b, Cytochrome c1, ...
著者Xia, D, Zhou, F, Esser, L.
登録日2018-12-31
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit.
J.Biol.Chem., 294, 2019
6PSC
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BU of 6psc by Molmil
Antibody scFv-M204 trimeric state
分子名称: scFv-M204 antibody
著者Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S.
登録日2019-07-12
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease.
J.Biol.Chem., 295, 2020
6Q36
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TEAD4(216-434) complexed with optimized peptide 9 and myristoate (covalently bound) at 2.01A resolution: Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence
分子名称: ACE-PRO-6CW-ARG-LEU-ARG-LYS-2JH-HYP-ASP-SER-PHE-ALN-LYS-GLU-PRO-NH2, MYRISTIC ACID, PHOSPHATE ION, ...
著者Kallen, J.
登録日2018-12-03
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence.
Bioorg.Med.Chem.Lett., 29, 2019
7QPB
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BU of 7qpb by Molmil
Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle
分子名称: Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle
著者Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I.
登録日2022-01-03
公開日2023-09-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.342 Å)
主引用文献Display Selection of a Hybrid Foldamer-Peptide Macrocycle.
Angew.Chem.Int.Ed.Engl., 62, 2023
6PYV
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BU of 6pyv by Molmil
Crystal Structure of HLA-B*2703-P47G in complex with LRN, a self-peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-2703 alpha chain, ...
著者Gras, S.
登録日2019-07-31
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
3O9V
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BU of 3o9v by Molmil
Crystal Structure of Human DPP4 Bound to TAK-986
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, 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid, ...
著者Yano, J.K, Aertgeerts, K.
登録日2010-08-04
公開日2011-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor.
J.Med.Chem., 53, 2011
6PV5
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BU of 6pv5 by Molmil
Structure of CpGH84B
分子名称: 1,2-ETHANEDIOL, Putative O-GlcNAcase nagJ
著者Pluvinage, B, Boraston, A.B.
登録日2019-07-19
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
8GM4
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BU of 8gm4 by Molmil
Functional construct of the Eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor
分子名称: 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
登録日2023-03-24
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor.
J.Biol.Chem., 299, 2023
6PSG
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BU of 6psg by Molmil
Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem
分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ...
著者Akhtar, A, Chen, Y.
登録日2019-07-12
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6PTR
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BU of 6ptr by Molmil
Crystal structure of a DnaN sliding clamp (DNA polymerase III subunit beta) from Bartonella birtlesii bound to griselimycin
分子名称: 1,2-ETHANEDIOL, ACE-MVA-MP8-NZC-LEU-MP8-LEU-MVA-PRO-MLU-GLY, Beta sliding clamp, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-07-16
公開日2019-08-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a DnaN sliding clamp (DNA polymerase III subunit beta) from Bartonella birtlesii bound to griselimycin
To Be Published
6PYJ
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BU of 6pyj by Molmil
Crystal Structure of HLA-B*2705 in complex with LRN, a self-peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
著者Gras, S.
登録日2019-07-30
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6NFE
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BU of 6nfe by Molmil
Crystal Structure of Ribose-phosphate Pyrophosphokinase from Legionella pneumophila with bound AMP, ADP, and Ribose-5-Phosphate
分子名称: 1,2-ETHANEDIOL, 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-19
公開日2019-01-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Ribose-phosphate Pyrophosphokinase from Legionella pneumophila with bound AMP, ADP, and Ribose-5-Phosphate
to be published
6PTU
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BU of 6ptu by Molmil
Crystal Structure of Class D Beta-lactamase OXA-48 with Imipenem
分子名称: CHLORIDE ION, Class D Carbapenemase OXA-48, Imipenem
著者Akhtar, A, Chen, Y.
登録日2019-07-16
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
1O8A
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BU of 1o8a by Molmil
Crystal Structure of Human Angiotensin Converting Enzyme (Native).
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ANGIOTENSIN CONVERTING ENZYME, ...
著者Natesh, R, Schwager, S.L.U, Sturrock, E.D, Acharya, K.R.
登録日2002-11-26
公開日2003-02-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the human angiotensin-converting enzyme-lisinopril complex.
Nature, 421, 2003
6Q85
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BU of 6q85 by Molmil
Structure of Fucosylated D-antimicrobial peptide SB11 in complex with the Fucose-binding lectin PA-IIL at 1.990 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2018-12-14
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
6PWI
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BU of 6pwi by Molmil
Structure of CpGH84D
分子名称: 1,2-ETHANEDIOL, Putative hyaluronoglucosaminidase
著者Pluvinage, B, Boraston, A.B.
登録日2019-07-23
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
7Q34
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BU of 7q34 by Molmil
Crystal structure of the multidrug binding transcriptional regulator LmrR in complex squaraine dye
分子名称: 2,4-bis[(E)-(1-ethyl-3,3-dimethyl-indol-2-ylidene)methyl]cyclobutane-1,3-dione, Helix-turn-helix transcriptional regulator, NICKEL (II) ION
著者Liutkus, M, Mejias, S.H, Barolo, C, Cortajarena, A.L.
登録日2021-10-26
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Designing Artificial Fluorescent Proteins: Squaraine-LmrR Biophosphors for High Performance Deep-Red Biohybrid Light-Emitting Diodes
Adv Funct Mater, 32, 2022
5FA2
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BU of 5fa2 by Molmil
Crystal structure of 426c.TM4deltaV1-3 p120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, THIOCYANATE ION, ...
著者Scharf, L, Bjorkman, P.J.
登録日2015-12-10
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
6QE2
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Crystal structure of Paleococcus ferrophilus monoacylglycerol lipase.
分子名称: GLYCEROL, LAURYL DIMETHYLAMINE-N-OXIDE, Monoacylglycerol lipase
著者Labar, G, Demarez, M, Brandt, N, Wouters, J, Leherte, F.
登録日2019-01-04
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7461 Å)
主引用文献Structure and Dynamics of an Archeal Monoglyceride Lipase from Palaeococcus ferrophilus as Revealed by Crystallography and In Silico Analysis.
Biomolecules, 11, 2021

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件を2024-08-21に公開中

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