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7EO5
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BU of 7eo5 by Molmil
Crystal structure of pyrano 1,3, oxazine derivative in complex with the second bromodomain of BRD2
分子名称: 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, TRIETHYLENE GLYCOL
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
登録日2021-04-21
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
6SL7
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BU of 6sl7 by Molmil
The Delta Calcium mutant of ALPHA-ACTININ FROM ENTAMOEBA HISTOLYTICA
分子名称: Calponin homology domain protein putative
著者Pinotsis, N, Lopez Arolas, A, Djinovic-Carugo, K.
登録日2019-08-18
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
6R89
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BU of 6r89 by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-cysteine
分子名称: CHLORIDE ION, CYSTEINE, GLYCEROL, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-04-01
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
6R8A
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BU of 6r8a by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-methionine
分子名称: Glutamate receptor 3.3,Glutamate receptor 3.3, METHIONINE, SODIUM ION, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-04-01
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
6R88
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BU of 6r88 by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with glycine
分子名称: CHLORIDE ION, GLYCEROL, GLYCINE, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-04-01
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
6R85
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BU of 6r85 by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-glutamate
分子名称: 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate receptor 3.3,Glutamate receptor 3.3, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-03-31
公開日2020-01-01
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
2OQX
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BU of 2oqx by Molmil
Crystal Structure of the apo form of E. coli tryptophanase at 1.9 A resolution
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Goldgur, Y, Kogan, A, Gdalevsky, G, Parola, A, Cohen-Luria, R, Almog, O.
登録日2007-02-01
公開日2007-02-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of apo tryptophanase from Escherichia coli reveals a wide-open conformation.
Acta Crystallogr.,Sect.D, 63, 2007
6FXN
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BU of 6fxn by Molmil
Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab
分子名称: Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain
著者Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P.
登録日2018-03-09
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors.
Nat Commun, 9, 2018
8AYF
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BU of 8ayf by Molmil
Crystal structure of human Sphingosine-1-phosphate lyase 1
分子名称: ACETATE ION, GLYCEROL, Sphingosine-1-phosphate lyase 1
著者Giardina, G, Catalano, F, Pampalone, G, Cellini, B.
登録日2022-09-02
公開日2023-09-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Dual species sphingosine-1-phosphate lyase inhibitors to combine antifungal and anti-inflammatory activities in cystic fibrosis: a feasibility study.
Sci Rep, 13, 2023
6H1F
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BU of 6h1f by Molmil
Structure of the nanobody-stabilized gelsolin D187N variant (second domain)
分子名称: Gelsolin, THIOCYANATE ION, gelsolin nanobody, ...
著者Hassan, A, Milani, M, Mastrangelo, E, de Rosa, M.
登録日2018-07-11
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nanobody interaction unveils structure, dynamics and proteotoxicity of the Finnish-type amyloidogenic gelsolin variant.
Biochim Biophys Acta Mol Basis Dis, 1865, 2019
7P0T
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BU of 7p0t by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 PEPTIDE with D-AMINOACID
分子名称: Beta-2-microglobulin, CHLORIDE ION, Derived peptide gp33-41 from LCMV, ...
著者Broggini, L, Ricagno, S.
登録日2021-06-30
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.605 Å)
主引用文献l- to d-Amino Acid Substitution in the Immunodominant LCMV-Derived Epitope gp33 Highlights the Sensitivity of the TCR Recognition Mechanism for the MHC/Peptide Structure and Dynamics.
Acs Omega, 7, 2022
7P0A
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BU of 7p0a by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 PEPTIDE with D-AMINOACID (p3P6f)
分子名称: Beta-2-microglobulin, CHLORIDE ION, H-2 class I histocompatibility antigen, ...
著者Broggini, L, Ricagno, S.
登録日2021-06-29
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.429 Å)
主引用文献l- to d-Amino Acid Substitution in the Immunodominant LCMV-Derived Epitope gp33 Highlights the Sensitivity of the TCR Recognition Mechanism for the MHC/Peptide Structure and Dynamics.
Acs Omega, 7, 2022
7P2B
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BU of 7p2b by Molmil
Crystal structure of human gelsolin amyloid mutant A551P
分子名称: CHLORIDE ION, GLYCEROL, Gelsolin, ...
著者Bollati, M, de Rosa, M.
登録日2021-07-05
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel hotspot of gelsolin instability triggers an alternative mechanism of amyloid aggregation.
Comput Struct Biotechnol J, 19, 2021
8CMX
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BU of 8cmx by Molmil
Structure of sphingosine-1-phosphate lyase (SPL) from Aspergillus fumigatus
分子名称: Sphinganine-1-phosphate aldolase BST1, putative
著者Catalano, F, Pampalone, G.
登録日2023-02-21
公開日2024-01-03
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Dual species sphingosine-1-phosphate lyase inhibitors to combine antifungal and anti-inflammatory activities in cystic fibrosis: a feasibility study.
Sci Rep, 13, 2023
5NXY
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BU of 5nxy by Molmil
Crystal structure of OpuAC from B. subtilis in complex with Arsenobetaine
分子名称: 1,2-ETHANEDIOL, 2-(trimethyl-lambda~5~-arsanyl)ethanol, Osmotically activated L-carnitine/choline ABC transporter substrate-binding protein OpuCC
著者Hofmann, T, Bremer, E, Schmitt, L, Smits, S.
登録日2017-05-11
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Arsenobetaine: an ecophysiologically important organoarsenical confers cytoprotection against osmotic stress and growth temperature extremes.
Environ. Microbiol., 20, 2018
6I8C
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BU of 6i8c by Molmil
Crystal structure of the murine beta-2-microglobulin.
分子名称: Beta-2-microglobulin, TRIETHYLENE GLYCOL
著者Achour, A, Sandalova, T, Ricagno, S, Sun, R.
登録日2018-11-20
公開日2019-10-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Biochemical and biophysical comparison of human and mouse beta-2 microglobulin reveals the molecular determinants of low amyloid propensity.
Febs J., 287, 2020
5NXX
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BU of 5nxx by Molmil
Crystal structure of OpuAC from B. subtilis in complex with Arsenobetaine
分子名称: (trimethylarsonio)acetate, Glycine betaine ABC transport system glycine betaine-binding protein OpuAC
著者Hofmann, T, Bremer, E, Schmitt, L, Smits, S.
登録日2017-05-11
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Arsenobetaine: an ecophysiologically important organoarsenical confers cytoprotection against osmotic stress and growth temperature extremes.
Environ. Microbiol., 20, 2018
5FDL
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BU of 5fdl by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899
分子名称: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
著者Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M.
登録日2015-12-16
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
6F6T
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BU of 6f6t by Molmil
Phenylalanine ammonia-lyase (PAL) from Petroselinum crispum complexed with S-APPA
分子名称: (S)-(1-amino-2phenylallyl)phosphonic acid, Phenylalanine ammonia-lyase 1
著者Bata, Z, Leveles, I, Vertessy, G.B, Poppe, L.
登録日2017-12-06
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89995968 Å)
主引用文献Substrate Tunnel Engineering Aided by X-ray Crystallography and Functional Dynamics Swaps the Function of MIO-Enzymes
Acs Catalysis, 2021
5O7G
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BU of 5o7g by Molmil
The crystal structure of a highly thermostable carboxyl esterase from Bacillus coagulans
分子名称: Alpha/beta hydrolase family protein
著者Gourlay, L.J.
登録日2017-06-08
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A stereospecific carboxyl esterase from Bacillus coagulans hosting nonlipase activity within a lipase-like fold.
FEBS J., 285, 2018
5Y42
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BU of 5y42 by Molmil
Native-crystal structure of three chain non-toxic type II ribosome inactivating protein purified from the seeds of Trichosanthes anguina
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lectin, Seed lectin
著者Chandran, T, Vijayan, M.
登録日2017-07-31
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Ligand binding and retention in snake gourd seed lectin (SGSL). A crystallographic, thermodynamic and molecular dynamics study.
Glycobiology, 28, 2018
2GAR
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BU of 2gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
分子名称: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
著者Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
登録日1998-05-13
公開日1998-08-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
7VRM
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BU of 7vrm by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, THEOPHYLLINE
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRO
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BU of 7vro by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, SULFATE ION, THEOBROMINE
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRQ
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BU of 7vrq by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, GLYCEROL, THEOBROMINE
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023

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