8CCI
 
 | | Crystal structure of Mycobacterium smegmatis thioredoxin reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Fuesser, F.T, Koch, O, Kuemmel, D. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening.
Acta Crystallogr D Struct Biol, 79, 2023
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8C6C
 | | Light SFX structure of D.m(6-4)photolyase at 300ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6H
 | | Light SFX structure of D.m(6-4)photolyase at 2ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C1U
 | | SFX structure of D.m(6-4)photolyase | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2022-12-21 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C69
 | | Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6A
 | | Light SFX structure of D.m(6-4)photolyase at 1ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6B
 | | Light SFX structure of D.m(6-4)photolyase at 20ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6F
 | | Light SFX structure of D.m(6-4)photolyase at 400fs time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8CIL
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8C7C
 | | Double mutant V(M84)C/A(L278)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | | Descriptor: | 1,2-ETHANEDIOL, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D. | | Deposit date: | 2023-01-14 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds.
Membranes (Basel), 13, 2023
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8C6K
 | | Double mutant A(L53)C/I(L64)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ... | | Authors: | Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds.
Membranes (Basel), 13, 2023
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8C5X
 | | Double mutant A(L37)C/S(L99)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ... | | Authors: | Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D. | | Deposit date: | 2023-01-10 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds.
Membranes (Basel), 13, 2023
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8CLN
 | | Zearalenone lactonase from Streptomyces coelicoflavus, SeMet derivative for SAD phasing | | Descriptor: | Hydrolase | | Authors: | Puehringer, D, Grishkovskaya, I, Mlynek, G, Kostan, J. | | Deposit date: | 2023-02-17 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
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7D2C
 | | The Crystal Structure of human PARP14 from Biortus. | | Descriptor: | CHLORIDE ION, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP14 | | Authors: | Wang, F, Miao, Q, Lv, Z, Cheng, W, Lin, D, Xu, X, Tan, J. | | Deposit date: | 2020-09-16 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The Crystal Structure of human PARP14 from Biortus.
To Be Published
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4ZII
 | | Crystal Structure of core/latch dimer of BaxI66A in complex with BidBH3 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, BH3-interacting domain death agonist | | Authors: | Czabotar, P.E, Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.191 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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7DFP
 | | Human dopamine D2 receptor in complex with spiperone | | Descriptor: | 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, D(2) dopamine receptor,Soluble cytochrome b562, FabH, ... | | Authors: | Im, D, Shimamura, T, Iwata, S. | | Deposit date: | 2020-11-09 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the dopamine D 2 receptor in complex with the antipsychotic drug spiperone.
Nat Commun, 11, 2020
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4ZWB
 | | Crystal structure of maltose-bound human GLUT3 in the outward-occluded conformation at 2.4 angstrom | | Descriptor: | Solute carrier family 2, facilitated glucose transporter member 3, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Deng, D, Sun, P.C, Yan, C.Y, Yan, N. | | Deposit date: | 2015-05-19 | | Release date: | 2015-07-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
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7DNO
 | | Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique | | Descriptor: | CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5 | | Authors: | Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T. | | Deposit date: | 2020-12-10 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
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5A52
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4ZU2
 | | Pseudomonas aeruginosa AtuE | | Descriptor: | IODIDE ION, Putative isohexenylglutaconyl-CoA hydratase | | Authors: | Poudel, N, Pfannstiel, J, Simon, O, Walter, N, Jendrossek, D, Papageorgiou, A.C. | | Deposit date: | 2015-05-15 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Pseudomonas aeruginosa Isohexenyl Glutaconyl Coenzyme A Hydratase (AtuE) Is Upregulated in Citronellate-Grown Cells and Belongs to the Crotonase Family.
Appl.Environ.Microbiol., 81, 2015
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4ZVI
 | | GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR | | Descriptor: | DNA gyrase subunit B, IODIDE ION, N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine | | Authors: | Zidar, N, Macut, H, Tomasic, T, Brvar, M, Montalvao, S, Tammela, P, Solmajer, T, Peterlin Masic, L, Ilas, J, Kikelj, D. | | Deposit date: | 2015-05-18 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | N-Phenyl-4,5-dibromopyrrolamides and N-Phenylindolamides as ATP Competitive DNA Gyrase B Inhibitors: Design, Synthesis, and Evaluation.
J.Med.Chem., 58, 2015
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5A0E
 | | Crystal structure of cyclophilin D in complex with CsA analogue, JW47. | | Descriptor: | JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL | | Authors: | Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L. | | Deposit date: | 2015-04-19 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis.
J.Biol.Chem., 291, 2016
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5A3J
 | | Crystal structure of the chloroplastic gamma-ketol reductase from Arabidopsis thaliana bound to 13-Oxo-9(Z),11(E),15(Z)- octadecatrienoic acid. | | Descriptor: | (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid), PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC | | Authors: | Mas-y-mas, S, Curien, G, Giustini, C, Rolland, N, Ferrer, J.L, Cobessi, D. | | Deposit date: | 2015-06-01 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.776 Å) | | Cite: | Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana.
Front Plant Sci, 8, 2017
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5AG4
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | | Descriptor: | (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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4ZSW
 | | Pig Brain GABA-AT inactivated by (E)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid | | Descriptor: | (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | | Authors: | Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D. | | Deposit date: | 2015-05-14 | | Release date: | 2015-07-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Acs Chem.Biol., 10, 2015
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