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6NVU
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Crystal structure of TLA-1 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, 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid, ACETATE ION, ...
著者Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Almazan, C.
登録日2019-02-05
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 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
8OEG
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BU of 8oeg by Molmil
PDE4B bound to MAPI compound 92a
分子名称: MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate, ...
著者Rizzi, A, Armani, E.
登録日2023-03-10
公開日2023-04-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Optimization of M 3 Antagonist-PDE4 Inhibitor (MAPI) Dual Pharmacology Molecules for the Treatment of COPD.
J.Med.Chem., 66, 2023
8ODW
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BU of 8odw by Molmil
Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Francois, R.M.M, Fraley, A.E, Piel, J, Weissman, K.J, Gruez, A.
登録日2023-03-09
公開日2023-05-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Modular Oxime Formation by a trans-AT Polyketide Synthase.
Angew.Chem.Int.Ed.Engl., 62, 2023
1ON9
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Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with hydrolyzed methylmalonyl-coenzyme a bound)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CADMIUM ION, METHYLMALONYL-COENZYME A, ...
著者Hall, P.R, Wang, Y.-F, Rivera-Hainaj, R.E, Zheng, X, Pustai-Carey, M, Carey, P.R, Yee, V.C.
登録日2003-02-27
公開日2003-05-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core
Embo J., 22, 2003
5L5I
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BU of 5l5i by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 9
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Groll, M, Huber, E.M.
登録日2016-05-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
2PRJ
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BU of 2prj by Molmil
Binding of N-acetyl-beta-D-glucopyranosylamine to Glycogen Phosphorylase B
分子名称: GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, N-acetyl-beta-D-glucopyranosylamine, ...
著者Oikonomakos, N.G, Kontou, M, Zographos, S.E, Watson, K.A, Johnson, L.N, Bichard, C.J.F, Fleet, G.W.J, Acharya, K.R.
登録日1998-12-11
公開日1998-12-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献N-acetyl-beta-D-glucopyranosylamine: a potent T-state inhibitor of glycogen phosphorylase. A comparison with alpha-D-glucose.
Protein Sci., 4, 1995
5L60
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BU of 5l60 by Molmil
Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133) in complex with PR-924
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Groll, M, Huber, E.M.
登録日2016-05-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
5L5A
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Yeast 20S proteasome with human beta5i (1-138; R57T)
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Groll, M, Huber, E.M.
登録日2016-05-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
8W26
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X-ray crystal structure of the GAF-PHY domains of SyB-Cph1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, PHYCOCYANOBILIN, ...
著者Burgie, E.S, Vierstra, R.D.
登録日2024-02-20
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the Photosensory Module from a PAS-Less Cyanobacterial Phytochrome Reveals a Hybrid Activated Conformation in the Dark-Adapted Pr State
To Be Published
5L5U
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Yeast 20S proteasome with human beta5i (1-138; V31M) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 17
分子名称: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, CHLORIDE ION, MAGNESIUM ION, ...
著者Groll, M, Huber, E.M.
登録日2016-05-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
6NYE
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BU of 6nye by Molmil
Crystal structure of computationally designed protein XAX
分子名称: Design construct XAX
著者Wei, K.Y, Bick, M.J.
登録日2019-02-11
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
5L69
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BU of 5l69 by Molmil
Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 16
分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Groll, M, Huber, E.M.
登録日2016-05-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
3TAB
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BU of 3tab by Molmil
5-hydroxycytosine paired with dGMP in RB69 gp43
分子名称: DNA (5'-D(*CP*CP*(5OC)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*G)-3'), DNA polymerase, ...
著者Zahn, K.E.
登録日2011-08-03
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site.
Biochemistry, 50, 2011
7M4U
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BU of 7m4u by Molmil
A. baumannii Ribosome-Eravacycline complex: 30S
分子名称: 16s Ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
1CEJ
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BU of 1cej by Molmil
SOLUTION STRUCTURE OF AN EGF MODULE PAIR FROM THE PLASMODIUM FALCIPARUM MEROZOITE SURFACE PROTEIN 1
分子名称: PROTEIN (MEROZOITE SURFACE PROTEIN 1)
著者Morgan, W.D, Birdsall, B, Frenkiel, T.A, Gradwell, M.G, Burghaus, P.A, Syed, S.E.H, Uthaipibull, C, Holder, A.A, Feeney, J.
登録日1999-03-08
公開日1999-05-28
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of an EGF module pair from the Plasmodium falciparum merozoite surface protein 1.
J.Mol.Biol., 289, 1999
7M4Z
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BU of 7m4z by Molmil
A. baumannii Ribosome-Eravacycline complex: hpf-bound 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
8WT3
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BU of 8wt3 by Molmil
Crystal structure of peptidoglycan DL-endopeptidase CwlO
分子名称: CHLORIDE ION, Peptidoglycan DL-endopeptidase CwlO
著者Tandukar, S, Kwon, E, Kim, D.Y.
登録日2023-10-17
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural analysis of the peptidoglycan DL-endopeptidase CwlO complexed with its inhibitory protein IseA.
Febs J., 2024
2O3O
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BU of 2o3o by Molmil
Crystal Structure of the sensor histidine kinase regulator YycI from Bacillus subtitlis
分子名称: CHLORIDE ION, YycI protein
著者Santelli, E, Liddington, R.C.
登録日2006-12-01
公開日2007-04-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The Crystal Structure of Bacillus subtilis YycI Reveals a Common Fold for Two Members of an Unusual Class of Sensor Histidine Kinase Regulatory Proteins.
J.Bacteriol., 189, 2007
6O0O
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BU of 6o0o by Molmil
crystal structure of BCL-2 G101V mutation with S55746
分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
著者Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E.
登録日2019-02-17
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
5EJJ
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BU of 5ejj by Molmil
Crystal structure of UfSP from C.elegans
分子名称: Ufm1-specific protease
著者Kim, K, Ha, B, Kim, E.E.
登録日2015-11-02
公開日2017-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The MPN domain of Caenorhabditis elegans UfSP modulates both substrate recognition and deufmylation activity
Biochem. Biophys. Res. Commun., 476, 2016
3NCF
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BU of 3ncf by Molmil
A mutant human Prolactin receptor antagonist H30A in complex with the mutant extracellular domain H188A of the human prolactin receptor
分子名称: CHLORIDE ION, Prolactin, Prolactin receptor, ...
著者Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E.
登録日2010-06-04
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation.
J.Biol.Chem., 285, 2010
8OG4
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BU of 8og4 by Molmil
Exostosin-like 3 UDP complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-like 3, MANGANESE (II) ION, ...
著者Sammon, D, Hohenester, E.
登録日2023-03-18
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of decision-making in glycosaminoglycan biosynthesis.
Nat Commun, 14, 2023
2O7D
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Tyrosine ammonia-lyase from Rhodobacter sphaeroides, complexed with caffeate
分子名称: CAFFEIC ACID, Putative histidine ammonia-lyase
著者Louie, G.V, Bowman, M.E, Moffitt, M.C, Baiga, T.J, Moore, B.S, Noel, J.P.
登録日2006-12-10
公開日2007-01-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases.
Chem.Biol., 13, 2006
6NZY
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Structural Determination of the Carboxy-terminal portion of ATP-citrate lyase
分子名称: ACETYL COENZYME *A, ATP-citrate lyase alpha-subunit, GLYCEROL, ...
著者Nguyen, V.H, Fraser, M.E.
登録日2019-02-14
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of the active site residues in ATP-citrate lyase's carboxy-terminal portion.
Protein Sci., 28, 2019
3UP3
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Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-cholestenoic acid
分子名称: (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid, 1,2-ETHANEDIOL, Nuclear receptor coactivator 2, ...
著者Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E.
登録日2011-11-17
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes.
J.Biol.Chem., 287, 2012

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