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6VCO
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BU of 6vco by Molmil
Crystal structure of E.coli RppH in complex with ppcpA
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, RNA pyrophosphohydrolase
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
5T2C
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BU of 5t2c by Molmil
CryoEM structure of the human ribosome at 3.6 Angstrom resolution
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Zhang, X, Lai, M, Zhou, Z.H.
Deposit date:2016-08-23
Release date:2017-01-25
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures and stabilization of kinetoplastid-specific split rRNAs revealed by comparing leishmanial and human ribosomes.
Nat Commun, 7, 2016
8DF0
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BU of 8df0 by Molmil
Abp1D receptor binding domain
Descriptor: Abp1D Receptor Binding Domain
Authors:Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J.
Deposit date:2022-06-21
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections.
Proc.Natl.Acad.Sci.USA, 120, 2023
8IJ7
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BU of 8ij7 by Molmil
Crystal structure of alcohol dehydrogenase from Burkholderia gladioli
Descriptor: Putative short-chain dehydrogenases/reductase family protein
Authors:Han, X, Mei, Z.L, Liu, W.D, Sun, Z.T, Ma, J.A.
Deposit date:2023-02-26
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structure of alcohol dehydrogenase from Burkholderia gladioli
To Be Published
4ZXU
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BU of 4zxu by Molmil
2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289
Descriptor: Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-20
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289.
To be Published
8DKA
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BU of 8dka by Molmil
Abp2D receptor binding domain R86E
Descriptor: Abp2D Receptor Binding Domain R86E
Authors:Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J.
Deposit date:2022-07-05
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections.
Proc.Natl.Acad.Sci.USA, 120, 2023
3B9L
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BU of 3b9l by Molmil
Human serum albumin complexed with myristate and AZT
Descriptor: 3'-azido-3'-deoxythymidine, MYRISTIC ACID, Serum albumin
Authors:Zhu, L, Yang, F, Chen, L, Meehan, E.J, Huang, M.
Deposit date:2007-11-05
Release date:2008-05-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography
J.Struct.Biol., 162, 2008
6VHE
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BU of 6vhe by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, KT130 bound
Descriptor: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Esterase family protein
Authors:Fellner, M, Mace, P.D.
Deposit date:2020-01-09
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
8DEY
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BU of 8dey by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2,3) and the molecular glue DKY709
Descriptor: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-06-21
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
5T13
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BU of 5t13 by Molmil
Structure of the Cyanuric Acid Hydrolase TrzD Reveals Product Exit Channel
Descriptor: CARBON DIOXIDE, Cyanuric acid amidohydrolase, MAGNESIUM ION
Authors:Bera, A.K, Wackett, L.P.
Deposit date:2016-08-17
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure of the Cyanuric Acid Hydrolase TrzD Reveals Product Exit Channel.
Sci Rep, 7, 2017
8A9Q
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BU of 8a9q by Molmil
Computational design of stable mammalian serum albumins for bacterial expression
Descriptor: Albumin, LAURIC ACID, MYRISTIC ACID, ...
Authors:Khersonsky, O, Dym, O, Fleishman, J.S.
Deposit date:2022-06-29
Release date:2023-05-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Stable Mammalian Serum Albumins Designed for Bacterial Expression.
J.Mol.Biol., 435, 2023
8CWL
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BU of 8cwl by Molmil
Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
Authors:Huang, W, Taylor, D.J.
Deposit date:2022-05-19
Release date:2023-03-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
8R37
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BU of 8r37 by Molmil
Klebsiella pneumoniae fosfomycin-resistance protein (FosAKP)
Descriptor: FOSFOMYCIN, FosA family fosfomycin resistance glutathione transferase, L(+)-TARTARIC ACID, ...
Authors:Papageorgiou, A.C, Varotsou, C, Labrou, N.E.
Deposit date:2023-11-08
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural Studies of Klebsiella pneumoniae Fosfomycin-Resistance Protein and Its Application for the Development of an Optical Biosensor for Fosfomycin Determination.
Int J Mol Sci, 25, 2023
8D3Z
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BU of 8d3z by Molmil
Crystal structure of GalS1 in complex with Manganese from Populus trichocarpas
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Galactan synthase, ...
Authors:Pereira, J.H, Prabhakar, P.K, Urbanowicz, B.R, Adams, P.D.
Deposit date:2022-06-01
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural and biochemical insight into a modular beta-1,4-galactan synthase in plants.
Nat.Plants, 9, 2023
8RNX
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BU of 8rnx by Molmil
Hen Egg White Lysozyme soaked with [HIsq][trans-RuCl4(DMSO)(Isq)]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K.
Deposit date:2024-01-11
Release date:2024-01-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
8D3T
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BU of 8d3t by Molmil
Crystal structure of GalS1 from Populus trichocarpas
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pereira, J.H, Prabhakar, P.K, Urbanowicz, B.R, Adams, P.D.
Deposit date:2022-06-01
Release date:2023-03-15
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural and biochemical insight into a modular beta-1,4-galactan synthase in plants.
Nat.Plants, 9, 2023
5AED
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BU of 5aed by Molmil
A bacterial protein structure in glycoside hydrolase family 31
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-GLUCOSIDASE YIHQ, CALCIUM ION
Authors:Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D.
Deposit date:2015-08-28
Release date:2016-02-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Nat.Chem.Biol., 12, 2016
6VCB
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BU of 6vcb by Molmil
Cryo-EM structure of the Glucagon-like peptide-1 receptor in complex with G protein, GLP-1 peptide and a positive allosteric modulator
Descriptor: 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
Authors:Sun, B, Feng, D, Bueno, A, Kobilka, B, Sloop, K.
Deposit date:2019-12-20
Release date:2020-07-22
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into probe-dependent positive allosterism of the GLP-1 receptor.
Nat.Chem.Biol., 16, 2020
5T9G
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BU of 5t9g by Molmil
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
Descriptor: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T2U
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BU of 5t2u by Molmil
short chain dehydrogenase/reductase family protein
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, short chain dehydrogenase/reductase family protein
Authors:Mickael, B, Van Wyk, N, Baneres-Roquet, F, Yann, G, Laurent, K.
Deposit date:2016-08-24
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of NADP(+) triggers an open-to-closed transition in a mycobacterial FabG beta-ketoacyl-ACP reductase.
Biochem. J., 474, 2017
6VCL
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BU of 6vcl by Molmil
Crystal structure of E.coli RppH-DapF in complex with pppGpp, Mg2+ and F-
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ...
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
8DJD
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BU of 8djd by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
Descriptor: 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors.
Bioorg.Med.Chem.Lett., 81, 2023
1UOD
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BU of 1uod by Molmil
Crystal structure of the dihydroxyacetone kinase from E. coli in complex with dihydroxyacetone-phosphate
Descriptor: DIHYDROXYACETONE KINASE, GLYCERALDEHYDE-3-PHOSPHATE, SULFATE ION
Authors:Siebold, C, Garcia-Alles, L.F, Luthi-Nyffeler, T, Flukiger-Bruhwiler, K, Burgi, H.-B, Baumann, U, Erni, B.
Deposit date:2003-09-16
Release date:2004-09-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphoenolpyruvate- and ATP-Dependent Dihydroxyacetone Kinases: Covalent Substrate-Binding and Kinetic Mechanism
Biochemistry, 43, 2004
8DJE
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BU of 8dje by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
Descriptor: (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.374 Å)
Cite:Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
5TA7
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BU of 5ta7 by Molmil
Crystal structure of BuGH117Bwt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018

223790

数据于2024-08-14公开中

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