7O4G
 
 | | Human phosphomannomutase 2 (PMM2) wild-type soaked with the activator glucose 1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
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8PX4
 | | Structure of the PAS domain code by the LIC_11128 gene from Leptospira interrogans serovar Copenhageni Fiocruz, solved at wavelength 3.09 A | | Descriptor: | Diguanylate cyclase | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Guzzo, C.R, Owens, R.J, Wagner, A. | | Deposit date: | 2023-07-22 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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7W2E
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8PXJ
 | | Structure of Whitewater Arroyo virus GP1 glycoprotein, solved at wavelength 2.75 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Glycoprotein G1, ... | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bowden, T.A, Wagner, A. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8DJU
 | | Cytosolic ascorbate peroxidase from Sorghum bicolor - bicyclic dehydroascorbic acid complex | | Descriptor: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name), L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Zhang, B, Kang, C. | | Deposit date: | 2022-07-01 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
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7SMZ
 | | X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one | | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | | Authors: | Ghith, A, Bruning, J.B, Bell, S.G. | | Deposit date: | 2021-10-27 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
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8PXL
 | | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ... | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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7W2G
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6ARK
 | | Crystal Structure of compound 10 covalently bound to K-Ras G12C | | Descriptor: | (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide, GLYCEROL, GTPase KRas, ... | | Authors: | Nnadi, C.I, Jenkins, M.L, Gentile, D.R, Bateman, L.A, Zaidman, D, Balius, T.E, Nomura, D.K, Burke, J.E, Shokat, K.M, London, N. | | Deposit date: | 2017-08-22 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Novel K-Ras G12C Switch-II Covalent Binders Destabilize Ras and Accelerate Nucleotide Exchange.
J Chem Inf Model, 58, 2018
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6V42
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8D19
 | | Human LanCL1 bound to GSH | | Descriptor: | GLUTATHIONE, Glutathione S-transferase LANCL1, ZINC ION | | Authors: | Ongpipattanakul, C, Nair, S.K. | | Deposit date: | 2022-05-26 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6OYV
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7O1B
 | | Human phosphomannomutase 2 (PMM2) wild-type co-crystallized with the activator glucose 1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | | Deposit date: | 2021-03-29 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
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6ARR
 | | Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with cesium ions | | Descriptor: | Acetyl-CoA acetyltransferase, CESIUM ION, CHLORIDE ION, ... | | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | | Deposit date: | 2017-08-23 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.822 Å) | | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
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8Q59
 | | Crystal structure of metal-dependent class II sulfofructose phosphate aldolase from Yersinia aldovae in complex with sulfofructose phosphate (YaSqiA-Zn-SFP) | | Descriptor: | (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid, SODIUM ION, Tagatose-1,6-bisphosphate aldolase kbaY, ... | | Authors: | Sharma, M, Davies, G.J. | | Deposit date: | 2023-08-08 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases.
J.Biol.Chem., 299, 2023
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8PNY
 | | Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens complexed with phenylhydrazine and in its apo form | | Descriptor: | Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate | | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O. | | Deposit date: | 2023-07-03 | | Release date: | 2023-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Expanded Substrate Specificity in D-Amino Acid Transaminases: A Case Study of Transaminase from Blastococcus saxobsidens.
Int J Mol Sci, 24, 2023
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5B2D
 | | Crystal structure of Mumps virus hemagglutinin-neuraminidase bound to 3-sialyllactose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HN protein, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Kubota, M, Takeuchi, K, Watanabe, S, Ohno, S, Matsuoka, R, Kohda, D, Hiramatsu, H, Suzuki, Y, Nakayama, T, Terada, T, Shimizu, K, Shimizu, N, Yanagi, Y, Hashiguchi, T. | | Deposit date: | 2016-01-14 | | Release date: | 2016-09-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.177 Å) | | Cite: | Trisaccharide containing alpha 2,3-linked sialic acid is a receptor for mumps virus
Proc.Natl.Acad.Sci.USA, 113, 2016
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6OYZ
 | | Crystal structure of MraY bound to capuramycin | | Descriptor: | (2~{S},3~{S},4~{S})-2-[(1~{R})-2-azanyl-1-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{N}-[(3~{S})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{H}-pyran-6-carboxamide, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Mashalidis, E.H, Lee, S.Y. | | Deposit date: | 2019-05-15 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Chemical logic of MraY inhibition by antibacterial nucleoside natural products.
Nat Commun, 10, 2019
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7O5Z
 | | Human phosphomannomutase 2 (PMM2) with mutation T237M in apo state | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | | Deposit date: | 2021-04-09 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
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6M8M
 | | PA14 sugar-binding domain from RTX adhesin | | Descriptor: | CALCIUM ION, Putative large adhesion protein (Lap) involved in biofilm formation, SODIUM ION, ... | | Authors: | Vance, T.D.R, Conroy, B, Davies, P.L. | | Deposit date: | 2018-08-22 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure and functional analysis of a bacterial adhesin sugar-binding domain.
Plos One, 14, 2019
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6P96
 | | OXA-48 carbapanemase, apo form | | Descriptor: | Beta-lactamase, CADMIUM ION, CALCIUM ION, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2019-06-10 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
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6AW2
 | | Crystal structure of the HopQ-CEACAM1 complex | | Descriptor: | Carcinoembryonic antigen-related cell adhesion molecule 1, HopQ | | Authors: | Bonsor, D.A, Sundberg, E.J. | | Deposit date: | 2017-09-05 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA.
EMBO J., 37, 2018
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6LVK
 | | Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative | | Descriptor: | Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION | | Authors: | Echizen, Y, Amano, Y, Tateishi, Y. | | Deposit date: | 2020-02-04 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
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7W2H
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6OZE
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