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7ECR
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BU of 7ecr by Molmil
Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Succinate and ADP-ribose
分子名称: GLYCEROL, Glutamate dehydrogenase, SUCCINIC ACID, ...
著者Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P.
登録日2021-03-13
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites.
Proteins, 90, 2022
6M81
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BU of 6m81 by Molmil
Crystal structure of TylM1 Y14F bound to SAH and dTDP-phenol
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, S-ADENOSYL-L-HOMOCYSTEINE, dTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase
著者Fick, R.J, McDole, B.G, Trievel, R.C.
登録日2018-08-21
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Structural and Functional Characterization of Sulfonium Carbon-Oxygen Hydrogen Bonding in the Deoxyamino Sugar Methyltransferase TylM1.
Biochemistry, 58, 2019
7K5V
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BU of 7k5v by Molmil
OXA-48 bound by Compound 3.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-09-17
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
6U8O
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BU of 6u8o by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-05
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
5KPO
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BU of 5kpo by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L.
登録日2016-07-05
公開日2016-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
6EKP
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BU of 6ekp by Molmil
Tryptophan Repressor TrpR from E.coli variant T44L T81M S88Y with Indole-3-acetic acid as ligand
分子名称: 1H-INDOL-3-YLACETIC ACID, 3,6,9,12,15-PENTAOXAHEPTADECANE, Trp operon repressor
著者Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B.
登録日2017-09-26
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A biosensor for the direct visualization of auxin
Nature, 2021
5E6B
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BU of 5e6b by Molmil
Glucocorticoid receptor DNA binding domain - RELB NF-kB response element complex
分子名称: DNA (5'-D(*CP*CP*GP*GP*GP*GP*AP*AP*TP*TP*CP*CP*GP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*AP*AP*TP*TP*CP*CP*CP*CP*GP*G)-3'), Glucocorticoid receptor, ...
著者Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
登録日2015-10-09
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
5KYC
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BU of 5kyc by Molmil
Crystal structure of USP7 catalytic domain [V302K] mutant in complex with ubiquitin (malonate bound)
分子名称: GLYCEROL, MALONIC ACID, Polyubiquitin-B, ...
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.426 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5E8P
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BU of 5e8p by Molmil
The structure of the TEIPP associated altered peptide ligand Trh4-p5NLE in complex with H-2D(b)
分子名称: Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ...
著者Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A.
登録日2015-10-14
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
J Immunol., 196, 2016
5ZZ1
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BU of 5zz1 by Molmil
Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum
分子名称: 3-AMINO-1,2,4-TRIAZOLE, CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
著者Yuzugullu Karakus, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J.
登録日2018-05-29
公開日2019-05-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 74, 2018
6UIG
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BU of 6uig by Molmil
Crystal structure of human monoclonal antibody H7.200 in complex with H7N9 hemagglutinin HA1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H7.200 Fab heavy chain, H7.200 Fab light chain, ...
著者Dong, J, Crowe, J.E.
登録日2019-09-30
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Anti-influenza H7 human antibody targets antigenic site in hemagglutinin head domain interface.
J.Clin.Invest., 130, 2020
5I9B
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BU of 5i9b by Molmil
Caspase 3 V266A
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-19
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
分子名称: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2020-02-07
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
8P3D
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BU of 8p3d by Molmil
Full length structure of TcMIP with bound inhibitor NJS224.
分子名称: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide, SODIUM ION, peptidylprolyl isomerase
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2023-05-17
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
5IBC
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BU of 5ibc by Molmil
Caspase 3 V266I
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-22
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
7KMG
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BU of 7kmg by Molmil
LY-CoV555 neutralizing antibody against SARS-CoV-2
分子名称: GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
1P8K
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BU of 1p8k by Molmil
The structure and DNA recognition of a bifunctional homing endonuclease and group I intron splicing factor
分子名称: 5'-D(P*CP*CP*TP*CP*CP*TP*CP*AP*GP*CP*GP*CP*GP*CP*T)-3', 5'-D(P*GP*CP*GP*CP*GP*CP*TP*GP*AP*GP*GP*AP*GP*GP*TP*TP*TP*C)-3', 5'-D(P*GP*CP*GP*CP*TP*TP*TP*AP*CP*AP*GP*AP*GP*AP*AP*A)-3', ...
著者Stoddard, B.L, Bolduc, J.M.
登録日2003-05-07
公開日2004-01-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and biochemical analyses of DNA and RNA binding by a bifunctional homing endonuclease and group I intron splicing factor.
Genes Dev., 17, 2003
5IBN
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BU of 5ibn by Molmil
Ultra high resolution crystal structure of the apo- form of second bromodomain of BRD2.
分子名称: Bromodomain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
著者Tripathi, S.K, Padmanabhan, B.
登録日2016-02-22
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex
Plos One, 11, 2016
5KW9
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BU of 5kw9 by Molmil
Structural Basis for Norovirus Neutralization by a HBGA Blocking Human IgA Antibody
分子名称: Capsid protein VP1, IgA Light chain, IgA(VH)-IgG(CH) heavy chain Fab fragment, ...
著者Shanker, S, Prasad, B.V.V.
登録日2016-07-15
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for norovirus neutralization by an HBGA blocking human IgA antibody.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DUY
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BU of 5duy by Molmil
Structure of lectin from the sea mussel Crenomytilus grayanus
分子名称: GLYCEROL, GalNAc/Gal-specific lectin
著者Lubkowski, J, Jakob, M, O'Keefe, B, Wlodawer, A.
登録日2015-09-21
公開日2015-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure of a lectin from the sea mussel Crenomytilus grayanus (CGL).
Acta Crystallogr.,Sect.F, 71, 2015
8P42
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BU of 8p42 by Molmil
Full length structure of TcMIP with bound inhibitor NJS227.
分子名称: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Macrophage infectivity potentiator
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2023-05-19
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
5IBP
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BU of 5ibp by Molmil
Caspase 3 V266M
分子名称: ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-22
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IFR
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BU of 5ifr by Molmil
Structure of the stable UBE2D3-UbDha conjugate
分子名称: GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3
著者Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D.
登録日2016-02-26
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes.
Nat.Chem.Biol., 12, 2016
4WLI
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BU of 4wli by Molmil
Stationary Phase Survival Protein YuiC from B.subtilis
分子名称: 1,2-ETHANEDIOL, YuiC
著者Quay, D.H.X, Cole, A.R, Cryar, A, Thalassinos, K, Williams, M.A, Bhakta, S, Keep, N.H.
登録日2014-10-07
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure of the stationary phase survival protein YuiC from B.subtilis.
Bmc Struct.Biol., 15, 2015
8F7H
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BU of 8f7h by Molmil
The condensation domain of surfactin A synthetase C variant 18b in space group P212121
分子名称: GLYCEROL, Surfactin synthetase
著者Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M.
登録日2022-11-18
公開日2023-11-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024

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