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6V6G
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Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V6P
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BU of 6v6p by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V8V
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BU of 6v8v by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-12
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V83
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BU of 6v83 by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-10
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V5E
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BU of 6v5e by Molmil
Crystal structure of CTX-M-14 P167S/D240G beta-lactamase
分子名称: Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-04
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
6V7T
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BU of 6v7t by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2019-12-09
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
5INJ
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BU of 5inj by Molmil
Crystal Structure of Prenyltransferase PriB Ternary Complex with L-Tryptophan and Dimethylallyl thiolodiphosphate (DMSPP)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Prenyltransferase, ...
著者Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2016-03-07
公開日2016-05-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
3D4L
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BU of 3d4l by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a novel inhibitor
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2008-05-14
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design.
Bioorg.Med.Chem.Lett., 18, 2008
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
分子名称: neoleukin-4
著者Jude, K.M, Spangler, J.B, Garcia, K.C.
登録日2022-08-06
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 2023
8EOB
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BU of 8eob by Molmil
Cryo-EM structure of human HSP90B in the closed state
分子名称: Heat shock protein HSP 90-beta, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Srivastava, D, Artemyev, N.O.
登録日2022-10-02
公開日2023-01-25
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Unique interface and dynamics of the complex of HSP90 with a specialized cochaperone AIPL1.
Structure, 31, 2023
8EOA
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BU of 8eoa by Molmil
Cryo-EM structure of human HSP90B-AIPL1 complex
分子名称: Aryl-hydrocarbon-interacting protein-like 1, Heat shock protein HSP 90-beta, MAGNESIUM ION, ...
著者Srivastava, D, Artemyev, N.O.
登録日2022-10-02
公開日2023-01-25
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Unique interface and dynamics of the complex of HSP90 with a specialized cochaperone AIPL1.
Structure, 31, 2023
5Z5W
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BU of 5z5w by Molmil
VFR12 in complex with LPS micelles
分子名称: Peptide from Prothrombin
著者Saravanan, R, Schmidtchen, A.
登録日2018-01-21
公開日2018-03-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides.
Nat Commun, 9, 2018
5Z5X
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BU of 5z5x by Molmil
HVF18 in complex with LPS micelles
分子名称: Peptide from Prothrombin
著者Saravanan, R, Schmidtchen, A.
登録日2018-01-21
公開日2018-03-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides.
Nat Commun, 9, 2018
1IVG
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BU of 1ivg by Molmil
STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, INFLUENZA A SUBTYPE N2 NEURAMINIDASE, ...
著者Jedrzejas, M.J, Luo, M.
登録日1994-12-12
公開日1995-03-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995
7DLD
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BU of 7dld by Molmil
Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states
分子名称: Carbonyl Reductase, MAGNESIUM ION
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-27
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLM
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BU of 7dlm by Molmil
Short chain dehydrogenase (SCR) crystal structure with NADPH
分子名称: Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-28
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLL
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BU of 7dll by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH
分子名称: (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-28
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DMG
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BU of 7dmg by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADP
分子名称: (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-12-03
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DN1
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BU of 7dn1 by Molmil
Hetero-oligomers of SCR-SCR2 crystal structure with NADPH
分子名称: (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-12-08
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
8SZX
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BU of 8szx by Molmil
Crystal structure of b'-WD40 Lys17Ala mutant
分子名称: Coatomer subunit beta'
著者Dey, D, Hasan, S.S.
登録日2023-05-30
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs.
Nat Commun, 14, 2023
8SK5
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BU of 8sk5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH
著者Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y.
登録日2023-04-18
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
5TVS
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BU of 5tvs by Molmil
JMJD2A in complex with Ni(II)
分子名称: Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION
著者Cascella, B, Lee, S.G, Jez, J.M.
登録日2016-11-09
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.745 Å)
主引用文献The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.
Chem. Commun. (Camb.), 53, 2017
5TVR
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BU of 5tvr by Molmil
JMJD2A in complex with Ni(II) and alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Cascella, B, Lee, S.G, Jez, J.M.
登録日2016-11-09
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.
Chem. Commun. (Camb.), 53, 2017
2P8S
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BU of 2p8s by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor
分子名称: (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T.
登録日2007-03-23
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin
Bioorg.Med.Chem.Lett., 17, 2007
1XMT
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BU of 1xmt by Molmil
X-ray structure of gene product from arabidopsis thaliana at1g77540
分子名称: BROMIDE ION, putative acetyltransferase
著者Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-10-04
公開日2004-10-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family.
Biochemistry, 45, 2006

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