7B2C
 
 | | Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum gassed with xenon | | Descriptor: | (2R)-2-[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Wagner, T, Lemaire, O.N, Engilberge, S. | | Deposit date: | 2020-11-26 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a key enzyme for anaerobic ethane activation.
Science, 373, 2021
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7Z9J
 | | ATAD2 in complex with PepLite-Gly | | Descriptor: | (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-21 | | Release date: | 2022-11-23 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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8J9J
 | | Cryo-EM structure of Euglena gracilis complex I, NADH state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Wu, M.C, He, Z.X, Tian, H.T, Hu, Y.Q, Han, F.Z, Zhou, L. | | Deposit date: | 2023-05-03 | | Release date: | 2024-02-28 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024
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8J9I
 | | Cryo-EM structure of Euglena gracilis complex I, turnover state | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Wu, M.C, He, Z.X, Tian, H.T, Hu, Y.Q, Han, F.Z, Zhou, L. | | Deposit date: | 2023-05-03 | | Release date: | 2024-02-28 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024
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4R9X
 | | Crystal Structure of Putative Copper Homeostasis Protein CutC from Bacillus anthracis | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Copper homeostasis protein CutC, ... | | Authors: | Kim, Y, Zhou, M, Makowska-Grzyska, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-09-08 | | Release date: | 2014-09-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8515 Å) | | Cite: | Crystal Structure of Putative Copper Homeostasis Protein CutC
from Bacillus anthracis
To be Published, 2014
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7B1S
 | | Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum at 0.994-A resolution | | Descriptor: | (2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Wagner, T, Lemaire, O.N, Engilberge, S. | | Deposit date: | 2020-11-25 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.992 Å) | | Cite: | Crystal structure of a key enzyme for anaerobic ethane activation.
Science, 373, 2021
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8RP1
 | | Aminodeoxychorismate synthase complex from Escherichia coli, with glutamine added | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aminodeoxychorismate synthase component 1, Aminodeoxychorismate synthase component 2, ... | | Authors: | Sung, S, Franziska, J.F, Schlee, S, Sterner, R, Wilmanns, M. | | Deposit date: | 2024-01-12 | | Release date: | 2025-01-29 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Activity Regulation of a Glutamine Amidotransferase Bienzyme Complex by Substrate-Induced Subunit Interface Expansion.
Acs Catalysis, 15, 2025
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8GT7
 | | Structure of falcipain and human Stefin A mutant complex | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Cystatin-A, ... | | Authors: | Chakraborty, S, Biswas, S. | | Deposit date: | 2022-09-07 | | Release date: | 2023-09-13 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structure of falcipain and human Stefin A complex
To Be Published
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8RP2
 | | Aminodeoxychorismate synthase complex from Escherichia coli, with EDTA added | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aminodeoxychorismate synthase component 1, Aminodeoxychorismate synthase component 2, ... | | Authors: | Sung, S, Funke, F.J, Schlee, S, Sterner, R, Wilmanns, M. | | Deposit date: | 2024-01-12 | | Release date: | 2025-01-29 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Activity Regulation of a Glutamine Amidotransferase Bienzyme Complex by Substrate-Induced Subunit Interface Expansion.
Acs Catalysis, 15, 2025
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6QLO
 | | Galectin-3C in complex with substituted fluoroaryltriazole monothiogalactoside derivative 1 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-02-01 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
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8B5J
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | | Descriptor: | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Chung, C. | | Deposit date: | 2022-09-22 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
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7SAB
 | | Phencyclidine-bound GluN1a-GluN2B NMDA receptors | | Descriptor: | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chou, T.-H, Furukawa, H. | | Deposit date: | 2021-09-22 | | Release date: | 2022-07-20 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural insights into binding of therapeutic channel blockers in NMDA receptors.
Nat.Struct.Mol.Biol., 29, 2022
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6I0J
 | | Crystal structure of human carbonic anhydrase I in complex with the 4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl sulfamate inhibitor | | Descriptor: | ACETATE ION, Carbonic anhydrase 1, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | | Deposit date: | 2018-10-26 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.
Eur.J.Med.Chem., 182, 2019
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7POD
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4REB
 | | Structural Insights into 5' Flap DNA Unwinding and Incision by the Human FAN1 Dimer | | Descriptor: | DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), ... | | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
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9B2S
 | | Haspin bound to nucleosome in position 1 | | Descriptor: | 601 DNA (185-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Hicks, C.W, Wolberger, C. | | Deposit date: | 2024-03-16 | | Release date: | 2025-01-22 | | Last modified: | 2025-08-06 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Haspin kinase binds to a nucleosomal DNA supergroove.
Nat.Struct.Mol.Biol., 32, 2025
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9HEQ
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8B7Z
 | | Bacterial chalcone isomerase H33A with taxifolin | | Descriptor: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Palm, G.J, Hinrichs, W. | | Deposit date: | 2022-10-03 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus .
Molecules, 27, 2022
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173L
 | | PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME | | Descriptor: | BETA-MERCAPTOETHANOL, T4 LYSOZYME | | Authors: | Xiong, X.-P, Zhang, X.-J, Sun, D, Matthews, B.W. | | Deposit date: | 1995-03-24 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
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177L
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8JB3
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8BLU
 | | The PDZ domains of human SDCBP | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The PDZ domains of human SDCBP
To Be Published
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4Z55
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7VD8
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6HBZ
 | | Bdellovibrio bacteriovorus DgcB Full-length | | Descriptor: | 1,2-ETHANEDIOL, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CHLORIDE ION, ... | | Authors: | Lovering, A.L, Meek, R.W. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural basis for activation of a diguanylate cyclase required for bacterial predation in Bdellovibrio.
Nat Commun, 10, 2019
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