7FS2
| Structure of liver pyruvate kinase in complex with allosteric modulator 13 | Descriptor: | (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.374 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7FS8
| Structure of liver pyruvate kinase in complex with allosteric modulator 21 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol, MAGNESIUM ION, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7Q77
| Room temperature structure of RNase A at 50 MPa helium gas pressure in a sapphire capillary | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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7MHL
| Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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2MD1
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7FSC
| Structure of liver pyruvate kinase in complex with allosteric modulator 42 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide, ... | Authors: | Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M. | Deposit date: | 2022-12-18 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators. Eur.J.Med.Chem., 250, 2023
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7Q76
| Room temperature structure of RNase A at 22 MPa helium gas pressure in a sapphire capillary | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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4AHO
| Crystal Structure of N-acetylneuraminic acid lyase from Staphylococcus aureus with the chemical modification thia-lysine at position 165 | Descriptor: | CHLORIDE ION, N-ACETYLNEURAMINATE LYASE | Authors: | Timms, N, Polyakova, A, Windle, C.L, Trinh, C.H, Nelson, A, Trinh, A.R, Berry, A. | Deposit date: | 2012-02-06 | Release date: | 2013-01-23 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights Into the Recovery of Aldolase Activity in N-Acetylneuraminic Acid Lyase by Replacement of the Catalytically Active Lysine with Gamma-Thialysine by Using a Chemical Mutagenesis Strategy. Chembiochem, 14, 2013
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5HZ6
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7Q79
| Room temperature structure of RNase A at 100 MPa helium gas pressure in a sapphire capillary | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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1BHU
| THE 3D STRUCTURE OF THE STREPTOMYCES METALLOPROTEINASE INHIBITOR, SMPI, ISOLATED FROM STREPTOMYCES NIGRESCENS TK-23, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | METALLOPROTEINASE INHIBITOR | Authors: | Tate, S, Ohno, A, Seeram, S.S, Hiraga, K, Oda, K, Kainosho, M. | Deposit date: | 1998-06-10 | Release date: | 1999-01-06 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | NMR structure of the Streptomyces metalloproteinase inhibitor, SMPI, isolated from Streptomyces nigrescens TK-23: another example of an ancestral beta gamma-crystallin precursor structure. J.Mol.Biol., 282, 1998
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7Q75
| Room temperature structure of RNase A at atmospheric pressure | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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7MHM
| Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5302 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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1BFD
| BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA | Descriptor: | BENZOYLFORMATE DECARBOXYLASE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Hasson, M.S, Muscate, A, Mcleish, M.J, Polovnikova, L.S, Gerlt, J.A, Kenyon, G.L, Petsko, G.A, Ringe, D. | Deposit date: | 1998-04-30 | Release date: | 1998-06-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of benzoylformate decarboxylase at 1.6 A resolution: diversity of catalytic residues in thiamin diphosphate-dependent enzymes. Biochemistry, 37, 1998
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7Q78
| Room temperature structure of RNase A at 72 MPa helium gas pressure in a sapphire capillary | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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4ZFY
| Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with ALPHA-METHYL-D-GALACTOSIDE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, methyl alpha-D-galactopyranoside, ... | Authors: | Chandran, T, Sharma, A, Vijayan, M. | Deposit date: | 2015-04-22 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure. J.Biosci., 40, 2015
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7Q7B
| Room temperature structure of RNase A at atmospheric pressure in a sapphire capillary after high helium gas pressure release | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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7Q7D
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7Q7E
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6RAZ
| D. melanogaster CMG-DNA, State 2B | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | Authors: | Eickhoff, P, Martino, F, Costa, A. | Deposit date: | 2019-04-08 | Release date: | 2019-09-18 | Last modified: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (4.46 Å) | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome. Cell Rep, 28, 2019
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9B3Q
| The structure of the human cardiac F-actin mutant A331P | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | Authors: | Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A. | Deposit date: | 2024-03-20 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of human cardiac actin To Be Published
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8YYR
| Structure of the HitB T293G mutant | Descriptor: | Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate | Authors: | Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2024-04-04 | Release date: | 2024-06-05 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB. Chembiochem, 25, 2024
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8YYQ
| Structure of the HitB F328L mutant | Descriptor: | Putative ATP-dependent b-aminoacyl-ACP synthetase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate | Authors: | Wang, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2024-04-04 | Release date: | 2024-06-05 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Engineering the Substrate Specificity of (S)-beta-Phenylalanine Adenylation Enzyme HitB. Chembiochem, 25, 2024
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8AKO
| Structure of EspB-EspK complex: the non-identical twin of the PE-PPE-EspG secretion mechanism. | Descriptor: | ESX-1 secretion-associated protein EspB, ESX-1 secretion-associated protein EspK | Authors: | Gijsbers, A, Eymery, M, Menart, I, Vinciauskaite, V, Gao, Y, Siliqi, D, Peters, P, Mccarthy, A, Ravelli, R.B.G. | Deposit date: | 2022-07-30 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | The crystal structure of the EspB-EspK virulence factor-chaperone complex suggests an additional type VII secretion mechanism in Mycobacterium tuberculosis. J.Biol.Chem., 299, 2022
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3S2Z
| Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with caffeic acid | Descriptor: | CAFFEIC ACID, CHLORIDE ION, Cinnamoyl esterase | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | Deposit date: | 2011-05-17 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An inserted alpha/beta subdomain shapes the catalytic pocket of Lactobacillus johnsonii cinnamoyl esterase. Plos One, 6, 2011
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