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6OUY
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BU of 6ouy by Molmil
The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.60 Angstrom resolution
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L.
Deposit date:2019-05-06
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR.
J.Biomol.Nmr, 74, 2020
6T62
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BU of 6t62 by Molmil
Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6TL6
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BU of 6tl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, GLYCEROL, ZINC ION, ...
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6TPT
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BU of 6tpt by Molmil
Crystal structures of FNIII domain three and four of the human leucocyte common antigen-related protein, LAR
Descriptor: Receptor-type tyrosine-protein phosphatase F
Authors:Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D.
Deposit date:2019-12-14
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal and solution structures of fragments of the human leucocyte common antigen-related protein.
Acta Crystallogr D Struct Biol, 76, 2020
6RZK
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BU of 6rzk by Molmil
Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:3(Chlorine)
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3
Authors:Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
Deposit date:2019-06-13
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.046 Å)
Cite:Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
6TJA
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BU of 6tja by Molmil
Crystal structure of the SVS_A2 protein (W79F,G83L mutant) from ancestral sequence reconstruction at 2.27 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, SVS_variant_AS1
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-25
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6RHM
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BU of 6rhm by Molmil
Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer
Descriptor: (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
Deposit date:2019-04-22
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:Are crystallographic B-factors suitable for calculating protein conformational entropy?
Phys Chem Chem Phys, 21, 2019
6RQU
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BU of 6rqu by Molmil
X-ray crystal structure of H/D exchanged (H/D) small monoclinic unit cell CA IX SV.
Descriptor: ACETATE ION, Carbonic anhydrase 9, ZINC ION
Authors:Fisher, Z, Koruza, K.
Deposit date:2019-05-16
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.
Acta Crystallogr D Struct Biol, 75, 2019
6RU2
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BU of 6ru2 by Molmil
Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-glucuronoyl methylesterase, ...
Authors:Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S.
Deposit date:2019-05-27
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Nat Commun, 11, 2020
6T26
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BU of 6t26 by Molmil
X-ray crystal structure of Vibrio alkaline phosphatase with the non-competitive inhibitor cyclohexylamine
Descriptor: Alkaline phosphatase, CHLORIDE ION, CYCLOHEXYLAMMONIUM ION, ...
Authors:Asgeirsson, B, Hjorleifsson, J.G, Markusson, S, Helland, R.
Deposit date:2019-10-07
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.265 Å)
Cite:X-ray crystal structure of Vibrio alkaline phosphatase with the non-competitive inhibitor cyclohexylamine.
Biochem Biophys Rep, 24, 2020
6TIV
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BU of 6tiv by Molmil
Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ...
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6TJZ
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BU of 6tjz by Molmil
Crystal structure of the SVS_A2 protein (W156Y mutant) from ancestral sequence reconstruction at 2.4 A resolution
Descriptor: SVS_variant_AS3
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-27
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6THU
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BU of 6thu by Molmil
Crystal structure of the SVS_A2 protein (A224I mutant) from ancestral sequence reconstruction at 2.6 A resolution
Descriptor: SVS_AS10 variant
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-21
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
5WN9
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BU of 5wn9 by Molmil
Structure of antibody 2D10 bound to the central conserved region of RSV G
Descriptor: Major surface glycoprotein G, scFv 2D10
Authors:Fedechkin, S.O, George, N.L, Wolff, J.T, Kauvar, L.M, DuBois, R.M.
Deposit date:2017-07-31
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Structures of respiratory syncytial virus G antigen bound to broadly neutralizing antibodies.
Sci Immunol, 3, 2018
1B3N
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BU of 1b3n by Molmil
BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN.
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2)
Authors:Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y.
Deposit date:1998-12-14
Release date:1999-04-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase.
J.Biol.Chem., 274, 1999
1BXY
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BU of 1bxy by Molmil
CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN L30 FROM THERMUS THERMOPHILUS AT 1.9 A RESOLUTION: CONFORMATIONAL FLEXIBILITY OF THE MOLECULE.
Descriptor: PROTEIN (RIBOSOMAL PROTEIN L30)
Authors:Fedorov, R, Nevskaya, N, Khairullina, A, Tishchenko, S, Mikhailov, A, Garber, M, Nikonov, S.
Deposit date:1998-10-09
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of ribosomal protein L30 from Thermus thermophilus at 1.9 A resolution: conformational flexibility of the molecule.
Acta Crystallogr.,Sect.D, 55, 1999
1BXE
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BU of 1bxe by Molmil
RIBOSOMAL PROTEIN L22 FROM THERMUS THERMOPHILUS
Descriptor: CHLORIDE ION, PROTEIN (RIBOSOMAL PROTEIN L22)
Authors:Unge, J, Aberg, A, Al-Karadaghi, S, Nikulin, A, Nikonov, S, Davydova, N, Nevskaya, N, Garber, M, Liljas, A.
Deposit date:1998-10-02
Release date:1998-10-07
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of ribosomal protein L22 from Thermus thermophilus: insights into the mechanism of erythromycin resistance.
Structure, 6, 1998
1B2L
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BU of 1b2l by Molmil
ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS: TERNARY COMPLEX WITH NAD-CYCLOHEXANONE
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ALCOHOL DEHYDROGENASE, CALCIUM ION, ...
Authors:Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
Deposit date:1998-11-26
Release date:1999-11-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
J.Mol.Biol., 289, 1999
1C41
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BU of 1c41 by Molmil
CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY
Descriptor: 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, LUMAZINE SYNTHASE, SULFATE ION
Authors:Persson, K, Schneider, G, Jordan, D.B, Viitanen, P.V, Sandalova, T.
Deposit date:1999-08-03
Release date:2000-08-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure analysis of a pentameric fungal and an icosahedral plant lumazine synthase reveals the structural basis for differences in assembly
Protein Sci., 8, 1999
1C87
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BU of 1c87 by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
Descriptor: 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Iversen, L.F, Andersen, H.S, Mortensen, S.B, Moller, N.P.
Deposit date:2000-04-16
Release date:2000-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B.
J.Biol.Chem., 275, 2000
1C85
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CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO)-BENZOIC ACID
Descriptor: 2-(OXALYL-AMINO)-BENZOIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P.
Deposit date:2000-04-16
Release date:2000-05-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases.
J.Biol.Chem., 275, 2000
1C88
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CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Iversen, L.F, Andersen, H.S, Mortensen, S.B, Moller, N.P.
Deposit date:2000-04-16
Release date:2000-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B.
J.Biol.Chem., 275, 2000
1C83
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CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID
Descriptor: 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P.
Deposit date:2000-04-14
Release date:2000-05-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases.
J.Biol.Chem., 275, 2000
1C84
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CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXLIC ACID
Descriptor: 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P.
Deposit date:2000-04-14
Release date:2000-05-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases.
J.Biol.Chem., 275, 2000
1C1H
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BU of 1c1h by Molmil
CRYSTAL STRUCTURE OF BACILLUS SUBTILIS FERROCHELATASE IN COMPLEX WITH N-METHYL MESOPORPHYRIN
Descriptor: FERROCHELATASE, MAGNESIUM ION, N-METHYLMESOPORPHYRIN
Authors:Lecerof, D, Fodje, M, Hansson, A, Hansson, M, Al-Karadaghi, S.
Deposit date:1999-07-22
Release date:2000-03-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and mechanistic basis of porphyrin metallation by ferrochelatase.
J.Mol.Biol., 297, 2000

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