6FOC
 
 | | F1-ATPase from Mycobacterium smegmatis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ... | | Authors: | Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E. | | Deposit date: | 2018-02-06 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4QQ7
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6HH6
 | | Human poly(ADP-ribose) glycohydrolase in complex with ADP-HPM | | Descriptor: | Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, Poly(ADP-ribose) glycohydrolase, SULFATE ION | | Authors: | Ariza, A. | | Deposit date: | 2018-08-24 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | (ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition.
Cell Chem Biol, 25, 2018
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6HCZ
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6HDH
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7U92
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2022-03-09 | | Release date: | 2023-09-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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5M5A
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ... | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-10-21 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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5LP5
 | | Complex between Penicillin-Binding Protein (PBP2) and MreC from Helicobacter pylori | | Descriptor: | Penicillin-binding protein 2 (Pbp2), Rod shape-determining protein (MreC) | | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Hicham, S, Hardouin, P, Boneca, I.G, Dessen, A. | | Deposit date: | 2016-08-11 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex.
Nat Commun, 8, 2017
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7V1V
 | | Difructose dianhydride I synthase/hydrolase (alphaFFase1) from Bifidobacterium dentium, ligand-free form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, D(-)-TARTARIC ACID, ... | | Authors: | Kashima, T, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | | Deposit date: | 2021-08-06 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Identification of difructose dianhydride I synthase/hydrolase from an oral bacterium establishes a novel glycoside hydrolase family.
J.Biol.Chem., 297, 2021
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7V25
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7V1W
 | | Difructose dianhydride I synthase/hydrolase (alphaFFase1) from Bifidobacterium dentium in complex with beta-D-arabinofuranose | | Descriptor: | CALCIUM ION, Difructose dianhydride I synthase/hydrolase (alphaFFase1), beta-D-arabinofuranose | | Authors: | Kashima, T, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | | Deposit date: | 2021-08-06 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Identification of difructose dianhydride I synthase/hydrolase from an oral bacterium establishes a novel glycoside hydrolase family.
J.Biol.Chem., 297, 2021
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6FXS
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7V1X
 | | Difructose dianhydride I synthase/hydrolase (alphaFFase1) from Bifidobacterium dentium in complex with beta-D-fructofuranose | | Descriptor: | CALCIUM ION, Difructose dianhydride I synthase/hydrolase, beta-D-fructofuranose | | Authors: | Kashima, T, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | | Deposit date: | 2021-08-06 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Identification of difructose dianhydride I synthase/hydrolase from an oral bacterium establishes a novel glycoside hydrolase family.
J.Biol.Chem., 297, 2021
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6HMZ
 | | Crystal Structure of a Single-Domain Cyclophilin from Brassica napus Phloem Sap | | Descriptor: | Cyclosporin, MAGNESIUM ION, MALONATE ION, ... | | Authors: | Falke, S, Hanhart, P, Garbe, M, Thiess, M, Betzel, C, Kehr, J. | | Deposit date: | 2018-09-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Enzyme activity and structural features of three single-domain phloem cyclophilins from Brassica napus.
Sci Rep, 9, 2019
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6GBG
 | | Helicobacter pylori adhesin HopQ type I bound to the N-terminal domain of human CEACAM1 | | Descriptor: | BROMIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 1, Outer membrane protein | | Authors: | Moonens, K, Kruse, T, Gerhard, M, Remaut, H. | | Deposit date: | 2018-04-13 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Helicobacter pyloriadhesin HopQ disruptstransdimerization in human CEACAMs.
EMBO J., 37, 2018
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7V28
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7V1Q
 | | Leifsonia Alcohol Dehydrogenases LnADH | | Descriptor: | Alcohol Dehydrogenases, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Song, Y, Qu, X. | | Deposit date: | 2021-08-05 | | Release date: | 2021-12-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Engineering Leifsonia Alcohol Dehydrogenase for Thermostability and Catalytic Efficiency by Enhancing Subunit Interactions.
Chembiochem, 22, 2021
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7V1R
 | | Leifsonia Alcohol Dehydrogenases LnADH | | Descriptor: | Alcohol Dehydrogenases, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Song, Y, Qu, X. | | Deposit date: | 2021-08-05 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Engineering Leifsonia Alcohol Dehydrogenase for Thermostability and Catalytic Efficiency by Enhancing Subunit Interactions.
Chembiochem, 22, 2021
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6HH1
 | | Structure of c-Kit with allosteric inhibitor 3G8 | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, PHOSPHATE ION, ~{N}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{H}-1,2,4-triazol-3-amine | | Authors: | Wrasidlo, W.J, Cheresh, D.A. | | Deposit date: | 2018-08-24 | | Release date: | 2019-09-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of c-Kit with allosteric inhibitor 3G8
To Be Published
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5LV0
 | | Structure of Human Neurolysin (E475Q) in complex with amyloid-beta 35-40 peptide product | | Descriptor: | CHLORIDE ION, GLY-VAL-VAL amyloid 35-40 fragment, Neurolysin, ... | | Authors: | Masuyer, G, Berntsson, R.P.-A, Teixeira, P.F, Kmiec, B, Glaser, E, Stenmark, P. | | Deposit date: | 2016-09-12 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional analysis of Neurolysin, a new component of the mitochondrial peptidolytic network
To Be Published
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6G18
 | | Cryo-EM structure of a late human pre-40S ribosomal subunit - State C | | Descriptor: | 40S ribosomal protein S11, 40S ribosomal protein S12, 40S ribosomal protein S13, ... | | Authors: | Ameismeier, M, Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2018-03-20 | | Release date: | 2018-06-06 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Visualizing late states of human 40S ribosomal subunit maturation.
Nature, 558, 2018
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6HPW
 | | Crystal structure of ENL (MLLT1) in complex with compound 20 | | Descriptor: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-09-22 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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6HKI
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7UA6
 | | Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 25K | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | | Authors: | Plapp, B.V, Gakhar, L. | | Deposit date: | 2022-03-11 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
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6G9V
 | | Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+ | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, UDP-N-acetylglucosamine pyrophosphorylase, ... | | Authors: | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
RSC Chem. Biol., 2020
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