5OQ2
 
 | | Se-SAD structure of the functional region of Cwp19 from Clostridium difficile | | Descriptor: | 1,2-ETHANEDIOL, Cwp19, PHOSPHATE ION | | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2017-08-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile.
FEBS J., 284, 2017
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7W7J
 | | Crystal structure of IrCp* immobilized apo-R52H-rHLFr (25 equiv) | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Taher, M, Maity, B, Nakane, T, Abe, S, Mazumdar, S. | | Deposit date: | 2021-12-05 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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8BK3
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with diepoxide ketone 1 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone, DIMETHYL SULFOXIDE, ... | | Authors: | de Munnik, M, Schofield, C.J. | | Deposit date: | 2022-11-08 | | Release date: | 2023-11-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | alpha beta , alpha ' beta '-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes.
Chem.Commun.(Camb.), 59, 2023
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8OKE
 | | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_1 | | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate | | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | | Deposit date: | 2023-03-28 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
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1FM4
 | | CRYSTAL STRUCTURE OF THE BIRCH POLLEN ALLERGEN BET V 1L | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, MAJOR POLLEN ALLERGEN BET V 1-L | | Authors: | Markovic-Housley, Z, Degano, M, Lamba, D, von Roepenack-Lahaye, E, Clemens, S, Susani, M, Ferreira, F, Scheiner, O, Breiteneder, H. | | Deposit date: | 2000-08-16 | | Release date: | 2002-12-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal Structure of a Hypoallergenic Isoform of the Major Birch Pollen Allergen Bet
v 1 and its Likely Biological Function as a Plant Steroid Carrier
J.Mol.Biol., 325, 2003
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8OLK
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8BLJ
 | | Crystal structure of the ligand-binding domain (LBD) of human iGluR Delta-1 (GluD1), apo state | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Heroven, C, Malinauskas, T, Aricescu, A.R. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | GluD1 binds GABA and controls inhibitory plasticity.
Science, 382, 2023
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7VJI
 | | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 us time-point) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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8TDX
 | | TRNM-b.01 in complex with HIV Env fusion peptide | | Descriptor: | Env Fusion Peptide, TRNM-b.01 Fab Heavy Chain, TRNM-b.01 Fab Light Chain | | Authors: | Olia, A.S, Kwong, P.D. | | Deposit date: | 2023-07-05 | | Release date: | 2024-07-10 | | Last modified: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Potent and broad HIV-1 neutralization in fusion peptide-primed SHIV-infected macaques.
Cell, 187, 2024
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7NYN
 | | Mutant Y526A of SH3 domain of JNK-interacting Protein 1 (JIP1) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | | Authors: | Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R. | | Deposit date: | 2021-03-23 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.537 Å) | | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
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5LTZ
 | | GmhA_mutant Q175E | | Descriptor: | 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vivoli, M, Harmer, N.J. | | Deposit date: | 2016-09-07 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
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5OP3
 | | Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | | Deposit date: | 2017-08-09 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.359 Å) | | Cite: | Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme
To be published
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8QPA
 | | Cryo-EM Structure of Pre-B+5'ssLNG Complex (core part) | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R. | | Deposit date: | 2023-10-01 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
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6S7C
 | | Crystal structure of CARM1 in complex with inhibitor UM079 | | Descriptor: | 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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8VZB
 | | Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, D-Lactyl-CoA, and ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, ACETIC ACID, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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8QOZ
 | | Cryo-EM Structure of Pre-B+5'ss+ATPgammaS Complex (core part) | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss RNA oligo, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R. | | Deposit date: | 2023-09-29 | | Release date: | 2024-05-22 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
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3OBK
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8QPB
 | | Cryo-EM Structure of Pre-B+ATP Complex (core part) | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 5'ss oligo, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R. | | Deposit date: | 2023-10-01 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
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9FYV
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9I7F
 | | Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P21 type 1 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2 | | Authors: | Vantieghem, T, Osipov, E.M, Strelkov, S.V. | | Deposit date: | 2025-01-31 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal engineering of the hepatoma-derived growth factor-related protein 2 PWWP domain towards crystallographic fragment screening.
Acta Crystallogr.,Sect.F, 81, 2025
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7V8J
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1FQY
 | | STRUCTURE OF AQUAPORIN-1 AT 3.8 A RESOLUTION BY ELECTRON CRYSTALLOGRAPHY | | Descriptor: | AQUAPORIN-1 | | Authors: | Murata, K, Mitsuoka, K, Hirai, T, Walz, T, Agre, P, Heymann, J.B, Engel, A, Fujiyoshi, Y. | | Deposit date: | 2000-09-07 | | Release date: | 2000-10-18 | | Last modified: | 2024-04-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (3.8 Å) | | Cite: | Structural determinants of water permeation through aquaporin-1.
Nature, 407, 2000
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8C3G
 | | Crystal structure of DYRK1A in complex with AZ191 | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine, ... | | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | | Deposit date: | 2022-12-23 | | Release date: | 2024-01-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural perspective on the design of selective DYRK1B inhibitors
To Be Published
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8VZF
 | | Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, Coenzyme A, and ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-Hydroxyacyl-CoA Lyase/Synthase, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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5O7Z
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