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6PQ7
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BU of 6pq7 by Molmil
Structure of the iMango-III fluorescent aptamer at room temperature.
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (37-MER), ...
Authors:Trachman III, R.J, Ferre-D'Amare, A.R.
Deposit date:2019-07-08
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Co-crystal structure of the iMango-III fluorescent RNA aptamer using an X-ray free-electron laser.
Acta Crystallogr.,Sect.F, 75, 2019
6PHN
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BU of 6phn by Molmil
Crystal structure of glucagon analog composed of D-amino acids with mono-stereoinversion at position 23 (L-Val23) in space group I41 at 1.33 A resolution
Descriptor: D-glucagon L-Val23, SODIUM ION
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHI
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BU of 6phi by Molmil
Crystal structure of native glucagon in space group I41 at 1.1 A resolution
Descriptor: CHLORIDE ION, Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHM
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BU of 6phm by Molmil
Crystal structure of glucagon analog fully composed of D-amino acids in space group I41 at 1.1 A resolution
Descriptor: D-glucagon, SULFATE ION
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHL
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BU of 6phl by Molmil
Crystal structure of glucagon analog with mono-stereoinversion at position 23 (D-Val23) in space group I41 at 1.44 A resolution
Descriptor: Glucagon
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.443 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHQ
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BU of 6phq by Molmil
Crystal structure of glucagon analog fully composed of D-amino acids with 4-bromo-D-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.1 A resolution
Descriptor: D-glucagon D-BrPhe 6,22
Authors:Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6P7M
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BU of 6p7m by Molmil
Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (1:2 complex)
Descriptor: Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ...
Authors:Knott, G.J, Liu, J.J, Doudna, J.A.
Deposit date:2019-06-06
Release date:2019-08-21
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a.
Elife, 8, 2019
6P7N
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BU of 6p7n by Molmil
Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (2:2 complex)
Descriptor: Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ...
Authors:Knott, G.J, Liu, J.J, Doudna, J.A.
Deposit date:2019-06-06
Release date:2019-08-21
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a.
Elife, 8, 2019
6TX4
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BU of 6tx4 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
Descriptor: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6QIX
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BU of 6qix by Molmil
The crystal structure of Trichuris muris p43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Levy, C.W.
Deposit date:2019-01-21
Release date:2019-06-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function.
Nat Commun, 10, 2019
6BCC
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BU of 6bcc by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Kovalevsky, A, McKenna, R, Aggarwal, M.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
6BC9
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BU of 6bc9 by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide
Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
Authors:Kovalevsky, A, McKenna, R, Aggarwal, M.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
6BQ8
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BU of 6bq8 by Molmil
Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one, STRONTIUM ION, ...
Authors:Kim, C, Kovalevsky, A, Gerlits, O.
Deposit date:2017-11-27
Release date:2018-03-21
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator.
Biochemistry, 57, 2018
6D4L
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BU of 6d4l by Molmil
Joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5
Descriptor: DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
Authors:Kovalevsky, A, Huang, Z, Vandavasi, V.G.
Deposit date:2018-04-18
Release date:2018-10-17
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION
Cite:Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
6BX8
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BU of 6bx8 by Molmil
Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C)
Descriptor: SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3
Authors:Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S.
Deposit date:2017-12-18
Release date:2019-02-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J. Biol. Chem., 294, 2019
6E21
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BU of 6e21 by Molmil
Joint X-ray/neutron structure of PKAc with products Sr2-ADP and phosphorylated peptide SP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Kovalevsky, A, Gerlits, O.O, Taylor, S.
Deposit date:2018-07-10
Release date:2019-04-03
Last modified:2024-11-06
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex.
Sci Adv, 5, 2019
6D54
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BU of 6d54 by Molmil
Low Temperature joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5
Descriptor: DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION
Authors:Kovalevsky, A, Huang, Z, Vandavasi, V.G.
Deposit date:2018-04-19
Release date:2018-10-17
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION
Cite:Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA.
Structure, 26, 2018
6WYF
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BU of 6wyf by Molmil
Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L.
Deposit date:2020-05-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks.
J.Am.Chem.Soc., 142, 2020
6WPM
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BU of 6wpm by Molmil
Crystal structure of a putative oligosaccharide periplasmic-binding protein from Synechococcus sp. MITs9220 in complex with zinc
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Ford, B.A, Michie, K.A, Paulsen, I.T, Mabbutt, B.C, Shah, B.S.
Deposit date:2020-04-27
Release date:2021-05-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Novel functional insights into a modified sugar-binding protein from Synechococcus MITS9220.
Sci Rep, 12, 2022
6XTV
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BU of 6xtv by Molmil
FULL-LENGTH LTTR LYSG FROM CORYNEBACTERIUM GLUTAMICUM WITH BOUND EFFECTOR ARG
Descriptor: ARGININE, Lysine export transcriptional regulatory protein LysG
Authors:Hofmann, E, Syberg, F, Schlicker, C, Eggeling, L, Schendzielorz, G.
Deposit date:2020-01-16
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering and application of a biosensor with focused ligand specificity.
Nat Commun, 11, 2020
6Y6K
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BU of 6y6k by Molmil
Cryo-EM structure of a Phenuiviridae L protein
Descriptor: MAGNESIUM ION, RNA-dependent RNA polymerase
Authors:Vogel, D, Thorkelsson, S.R, Quemin, E, Meier, K, Kouba, T, Gogrefe, N, Busch, C, Reindl, S, Guenther, S, Cusack, S, Gruenewald, K, Rosenthal, M.
Deposit date:2020-02-26
Release date:2020-04-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein.
Nucleic Acids Res., 48, 2020
6XA9
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BU of 6xa9 by Molmil
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
Descriptor: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
6YLV
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BU of 6ylv by Molmil
Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog
Descriptor: 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL
Authors:Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J.
Deposit date:2020-04-07
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66005659 Å)
Cite:Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
6XWS
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BU of 6xws by Molmil
Crystal Structure of Drosophila CAL1 1-160 bound to CENP-A/H4
Descriptor: Chromosome alignment defect 1,Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4
Authors:Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P.
Deposit date:2020-01-24
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.36 Å)
Cite:Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1.
Embo J., 39, 2020
6WYG
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BU of 6wyg by Molmil
Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT agent
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L.
Deposit date:2020-05-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks.
J.Am.Chem.Soc., 142, 2020

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