1LCC
 
 | | STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | | Descriptor: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ... | | Authors: | Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R. | | Deposit date: | 1993-03-25 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
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1LCD
 | | STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | | Descriptor: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ... | | Authors: | Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R. | | Deposit date: | 1993-03-25 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
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8ST5
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7Q52
 | | Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W | | Descriptor: | 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ... | | Authors: | Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M. | | Deposit date: | 2021-11-02 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
J.Med.Chem., 65, 2022
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5JDU
 | | Crystal structure for human thrombin mutant D189A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pozzi, N, Chen, Z, Di Cera, E. | | Deposit date: | 2016-04-17 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
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8ST6
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8AJ4
 | | X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A') | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene], Lysozyme, ... | | Authors: | Paolillo, M, Merlino, A, Ferraro, G. | | Deposit date: | 2022-07-27 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
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8AJ3
 | | X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8,8,8,8-tetrakis($l^{1}-oxidanyl)-2-methyl-3,7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1,5-diene, 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene], ... | | Authors: | Paolillo, M, Merlino, A, Ferraro, G. | | Deposit date: | 2022-07-27 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
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8AJ5
 | | X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure B) | | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION, ... | | Authors: | Paolillo, M, Merlino, A, Ferraro, G. | | Deposit date: | 2022-07-27 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
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8AMI
 | | Crystal structure of AUGUGGCAU duplex with barium ions (model 2) | | Descriptor: | BARIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3'), SODIUM ION | | Authors: | Kiliszek, A, Rypniewski, W. | | Deposit date: | 2022-08-03 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
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7QDQ
 | | Crystal Structure of HDM2 in complex with Caylin-1 | | Descriptor: | CHLORIDE ION, Caylin-1, DIMETHYL SULFOXIDE, ... | | Authors: | Finke, A.D, Walti, M.A, Marsh, M.E, Orts, J. | | Deposit date: | 2021-11-29 | | Release date: | 2022-10-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation
J Magn Reson Open, 10-11, 2022
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7QE4
 | | B-trefoil lectin from Salpingoeca rosetta in complex with GalNAc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, ... | | Authors: | Notova, S, Varrot, A. | | Deposit date: | 2021-12-01 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3.
Commun Biol, 5, 2022
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8B2J
 | | Crystal structure of human STING in complex with ADU-S100 | | Descriptor: | (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, CALCIUM ION, SODIUM ION, ... | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-09-14 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Crystal structure of human STING in complex with ADU-S100
To Be Published
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7QSF
 | | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-12 (G206C, R207T, D210A, S211A) | | Descriptor: | CHLORIDE ION, Isoaspartyl peptidase, Isoaspartyl peptidase subunit beta, ... | | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | | Deposit date: | 2022-01-13 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
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7QTC
 | | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-3 (G206H, R207T, D210P, S211Q) | | Descriptor: | Isoaspartyl peptidase, Isoaspartyl peptidase subunit beta, SODIUM ION | | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | | Deposit date: | 2022-01-14 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
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1M0P
 | | Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-phenylethanephosphonate | | Descriptor: | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID, 2,2-Dialkylglycine Decarboxylase, POTASSIUM ION, ... | | Authors: | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | | Deposit date: | 2002-06-13 | | Release date: | 2002-10-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
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7QVR
 | | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-37 (G206S, R207T, D210S) | | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ... | | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | | Deposit date: | 2022-01-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
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7QY6
 | | Structure of E.coli Class 2 L-asparaginase EcAIII, wild type (WT EcAIII) | | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, Isoaspartyl peptidase, ... | | Authors: | Loch, J.I, Klonecka, A, Kadziolka, K, Bonarek, P, Barciszewski, J, Imiolczyk, B, Brzezinski, K, Jaskolski, M. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
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7QOA
 | | Structure of CodB, a cytosine transporter in an outward-facing conformation | | Descriptor: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ... | | Authors: | Hatton, C.E, Cameron, A.D. | | Deposit date: | 2021-12-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism.
Embo J., 41, 2022
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7QQ8
 | | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-8 (G206Y, R207Q, D210P, S211T) | | Descriptor: | Beta-aspartyl-peptidase, CHLORIDE ION, SODIUM ION | | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | | Deposit date: | 2022-01-06 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
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8PWK
 | | human HINT1 in complex with compound AT8003 | | Descriptor: | Histidine triad nucleotide-binding protein 1, SODIUM ION, [(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Zimberger, C, Canard, B, Ferron, F. | | Deposit date: | 2023-07-20 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.
Plos Biol., 22, 2024
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7QH0
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6BE1
 | | Cryo-EM structure of serotonin receptor | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Basak, S, Chakrapani, S. | | Deposit date: | 2017-10-24 | | Release date: | 2018-02-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.31 Å) | | Cite: | Cryo-EM structure of 5-HT
Nat Commun, 9, 2018
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7QHP
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8TA1
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