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6IZW
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BU of 6izw by Molmil
Myxococcus xanthus MglA bound to GTP-gamma-S and MglB
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Gliding motility protein MglB, MAGNESIUM ION, ...
Authors:Baranwal, J, Gayathri, P.
Deposit date:2018-12-20
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric regulation of a prokaryotic small Ras-like GTPase contributes to cell polarity oscillations in bacterial motility.
Plos Biol., 17, 2019
4Y1H
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BU of 4y1h by Molmil
Crystal structure of K33 linked tri-Ubiquitin
Descriptor: 1,2-ETHANEDIOL, Ubiquitin-40S ribosomal protein S27a
Authors:Kristariyanto, Y.A, Abdul Rehman, S.A, Choi, S.Y, Ritorto, S, Campbell, D.G, Morrice, N.A, Toth, R, Kulathu, Y.
Deposit date:2015-02-07
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Assembly and structure of Lys33-linked polyubiquitin reveals distinct conformations.
Biochem.J., 467, 2015
4XYZ
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BU of 4xyz by Molmil
Crystal structure of K33 linked di-Ubiquitin
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, IODIDE ION, ...
Authors:Kristariyanto, Y.A, Abdul Rehman, S.A, Choi, S.Y, Ritorto, S, Campbell, D.G, Morrice, N.A, Toth, R, Kulathu, Y.
Deposit date:2015-02-03
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Assembly and structure of Lys33-linked polyubiquitin reveals distinct conformations.
Biochem.J., 467, 2015
5KR4
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BU of 5kr4 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KR6
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BU of 5kr6 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KQU
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BU of 5kqu by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KQT
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BU of 5kqt by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminoburyrate transaminase, CHLORIDE ION, GLYCEROL, ...
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KR3
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BU of 5kr3 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminobutyrate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KQW
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BU of 5kqw by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, DI(HYDROXYETHYL)ETHER, ...
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
5KR5
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BU of 5kr5 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminobutyrate transaminase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
1VGE
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BU of 1vge by Molmil
TR1.9 FAB FRAGMENT OF A HUMAN IGG1 KAPPA AUTOANTIBODY
Descriptor: TR1.9 FAB
Authors:Chacko, S, Padlan, E.A.
Deposit date:1996-01-04
Release date:1996-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of human autoantibodies. Crystal structure of a thyroid peroxidase autoantibody Fab.
J.Biol.Chem., 271, 1996
6SRR
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BU of 6srr by Molmil
Crystal structure of human SHIP2 catalytic domain
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
Authors:Whitfield, H, Brearley, C.A, Hemmings, A.M.
Deposit date:2019-09-05
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Allosteric Site on SHIP2 Identified Through Fluorescent Ligand Screening and Crystallography: A Potential New Target for Intervention.
J.Med.Chem., 64, 2021
4XZH
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BU of 4xzh by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZI
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BU of 4xzi by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZN
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BU of 4xzn by Molmil
Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZL
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BU of 4xzl by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and JF0049
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
6SQU
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BU of 6squ by Molmil
Crystal structure of human SHIP2 catalytic domain in complex with 1,2,4 Dimer
Descriptor: 5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
Authors:Whitfield, H, Brearley, C.A, Hemmings, A.M.
Deposit date:2019-09-04
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Allosteric Site on SHIP2 Identified Through Fluorescent Ligand Screening and Crystallography: A Potential New Target for Intervention.
J.Med.Chem., 64, 2021
4XZM
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BU of 4xzm by Molmil
Crystal structure of the methylated wild-type AKR1B10 holoenzyme
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4WT2
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BU of 4wt2 by Molmil
Co-crystal Structure of MDM2 in Complex with AM-7209
Descriptor: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
Deposit date:2014-10-30
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
4YBH
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BU of 4ybh by Molmil
Crystal structure of the human RAGE ectodomain (VC1C2 fragment) in complex with human S100A6
Descriptor: ACETATE ION, Advanced glycosylation end product-specific receptor, CALCIUM ION, ...
Authors:Yatime, L, Andersen, G.R.
Deposit date:2015-02-18
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of the RAGE:S100A6 Complex Reveals a Unique Mode of Homodimerization for S100 Proteins.
Structure, 24, 2016
1JZT
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BU of 1jzt by Molmil
Crystal structure of yeast ynu0, YNL200c
Descriptor: CHLORIDE ION, Hypothetical 27.5 kDa protein in SPX19-GCR2 intergenic region
Authors:Jiang, J.-S, Manning, N.O, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-09-17
Release date:2001-09-26
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of Yeast Hypothetical Protein YNU0_YEAST
To be Published
1MOR
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BU of 1mor by Molmil
ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH GLUCOSE 6-PHOSPHATE
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, GLUCOSAMINE 6-PHOSPHATE SYNTHASE
Authors:Teplyakov, A.
Deposit date:1997-04-12
Release date:1998-10-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The mechanism of sugar phosphate isomerization by glucosamine 6-phosphate synthase.
Protein Sci., 8, 1999
1MOQ
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BU of 1moq by Molmil
ISOMERASE DOMAIN OF GLUCOSAMINE 6-PHOSPHATE SYNTHASE COMPLEXED WITH GLUCOSAMINE 6-PHOSPHATE
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, ...
Authors:Teplyakov, A.
Deposit date:1997-04-11
Release date:1998-10-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Involvement of the C terminus in intramolecular nitrogen channeling in glucosamine 6-phosphate synthase: evidence from a 1.6 A crystal structure of the isomerase domain.
Structure, 6, 1998
1RXD
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BU of 1rxd by Molmil
Crystal structure of human protein tyrosine phosphatase 4A1
Descriptor: protein tyrosine phosphatase type IVA, member 1; Protein tyrosine phosphatase IVA1
Authors:Sun, J.P, Fedorov, A.A, Almo, S.C, Zhang, Z.Y, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-12-18
Release date:2004-12-28
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
7BKG
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BU of 7bkg by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (2)
Descriptor: 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2021-01-15
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.326 Å)
Cite:Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021

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