6JFX
 
 | | Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with maltopentaose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | | Deposit date: | 2019-02-12 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii.
Acta Crystallogr D Struct Biol, 76, 2020
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6JAX
 | | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with chitooctaose [(GlcN)8] | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Group II chitinase | | Authors: | Chen, W, Zhou, Y, Yang, Q. | | Deposit date: | 2019-01-25 | | Release date: | 2019-05-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition.
J.Biol.Chem., 294, 2019
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9NT5
 | | Crystal structure of ecLacI transcription factor ancestor 1 bound to glycerol | | Descriptor: | GLYCEROL, LacI Transcription Factor | | Authors: | Georgelin, R.L, Frkic, R.L, Tan, L, Kaczmarski, J, Jackson, C.J. | | Deposit date: | 2025-03-18 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structure of ecLacI transcription factor ancestor 1 bound to glycerol
To Be Published
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8V1I
 | | Crystal structure of human mascRNA | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Skeparnias, I, Zhang, J. | | Deposit date: | 2023-11-20 | | Release date: | 2024-07-10 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of MALAT1 RNA maturation and mascRNA biogenesis.
Nat.Struct.Mol.Biol., 31, 2024
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9NHT
 | | Crystal structure of structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor KM-5-35 | | Descriptor: | 4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION, ... | | Authors: | Lovell, S, Seibold, S, Battaile, K.P, Yao, H, Rivera, M. | | Deposit date: | 2025-02-25 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Inhibitors of the Bacterioferritin Ferredoxin Complex Dysregulate Iron Homeostasis and Kill Acinetobacter baumannii and Biofilm-Embedded Pseudomonas aeruginosa Cells.
Acs Infect Dis., 11, 2025
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9NHR
 | | Crystal structure of structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor KM-5-25 | | Descriptor: | 4-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION, ... | | Authors: | Lovell, S, Seibold, S, Battaile, K.P, Yao, H, Rivera, M. | | Deposit date: | 2025-02-25 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Inhibitors of the Bacterioferritin Ferredoxin Complex Dysregulate Iron Homeostasis and Kill Acinetobacter baumannii and Biofilm-Embedded Pseudomonas aeruginosa Cells.
Acs Infect Dis., 11, 2025
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9PCS
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9VDN
 | | Cryo-EM structure of human ATP9A (AlF) E2P state open form | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, MAGNESIUM ION, ... | | Authors: | Abe, K. | | Deposit date: | 2025-06-09 | | Release date: | 2025-09-03 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | A unique gating mechanism revealed by the cryo-EM structure of monomeric ATP9A flippase.
J.Biol.Chem., 301, 2025
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9VDK
 | | Cryo-EM structure of human ATP9A in BeF-bound E2P state open form | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, MAGNESIUM ION, ... | | Authors: | Abe, K. | | Deposit date: | 2025-06-09 | | Release date: | 2025-09-03 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (2.18 Å) | | Cite: | A unique gating mechanism revealed by the cryo-EM structure of monomeric ATP9A flippase.
J.Biol.Chem., 301, 2025
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9S5X
 | | Crystal structure of Neisseria gonorrhoeae FabI in complex with NADH and (E)-3-((2R,3S)-3-hydroxy-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide | | Descriptor: | (~{E})-~{N}-methyl-~{N}-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(2~{R},3~{S})-2-methyl-3-oxidanyl-4-oxidanylidene-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Ronin, C, Gerusz, V, Ciesielski, F. | | Deposit date: | 2025-07-30 | | Release date: | 2025-08-20 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | The bactericidal FabI inhibitor Debio 1453 clears antibiotic-resistant Neisseria gonorrhoeae infection in vivo.
Nat Commun, 16, 2025
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9PLJ
 | | Crystal structure of human CYP3A4 with substrate THC | | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2025-07-15 | | Release date: | 2025-09-17 | | Last modified: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Interaction of cytochrome P450 3A4 with cannabinoids and the drug darifenacin.
J.Biol.Chem., 2025
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9O5B
 | | RNase A in complex with N1-Methylpseudouridine Vanadate and decavanadates | | Descriptor: | 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione, DECAVANADATE, Ribonuclease pancreatic, ... | | Authors: | Gutierrez, C.S, Lim, D.C, Silkenath, B, Kojasoy, V, Raines, R.T. | | Deposit date: | 2025-04-09 | | Release date: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Pseudouridine Residues as Substrates for Serum Ribonucleases.
Rna, 2025
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9NXG
 | | An alpha-l-arabinofuranosidase (AtAbf43C) from Acetivibrio thermocellus DSM1313 | | Descriptor: | GLYCEROL, Glycoside hydrolase family 43, MAGNESIUM ION | | Authors: | Galindo, J.L, Jeffrey, P.D, Conway, J.M. | | Deposit date: | 2025-03-25 | | Release date: | 2025-08-20 | | Last modified: | 2025-10-15 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Functional and structural characterization of AtAbf43C: an exo-1,5-alpha-L-arabinofuranosidase from Acetivibrio thermocellus DSM1313.
Biochem.J., 482, 2025
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9O4V
 | | RNase A in complex with Pseudouridine Vanadate and decavanadates | | Descriptor: | 5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione, DECAVANADATE, Ribonuclease pancreatic, ... | | Authors: | Gutierrez, C.S, Lim, D.C, Silkenath, B, Kojasoy, V, Raines, R.T. | | Deposit date: | 2025-04-08 | | Release date: | 2025-09-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pseudouridine Residues as Substrates for Serum Ribonucleases.
Rna, 2025
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9QM0
 | | W-formate dehydrogenase U192C from Desulfovibrio vulgaris | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vilela-Alves, G, Oliveira, A.R, Pereira, I.C, Romao, M.J, Mota, C. | | Deposit date: | 2025-03-21 | | Release date: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.833 Å) | | Cite: | The Role of Selenocysteine in Catalysis and Oxygen Tolerance of a W‐Dependent Formate Dehydrogenase
Acs Catalysis, 2025
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9QM1
 | | W-formate dehydrogenase U192C from Desulfovibrio vulgaris - Soaked with Dithionite | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vilela-Alves, G, Oliveira, A.R, Pereira, I.C, Romao, M.J, Mota, C. | | Deposit date: | 2025-03-21 | | Release date: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | The Role of Selenocysteine in Catalysis and Oxygen Tolerance of a W‐Dependent Formate Dehydrogenase
Acs Catalysis, 2025
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9V92
 | | Crystal structure of the Pin1 and Frag61 complex | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Xiao, Q.J. | | Deposit date: | 2025-05-30 | | Release date: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
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6VBF
 | | 1.85 Angstrom Resolution Crystal Structure of N-terminal Domain of Two-component System Response Regulator from Acinetobacter baumannii | | Descriptor: | CALCIUM ION, CHLORIDE ION, Two-component regulatory system response regulator | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-12-18 | | Release date: | 2019-12-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85 Angstrom Resolution Crystal Structure of N-terminal Domain of Two-component System Response Regulator from Acinetobacter baumannii
To Be Published
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9KAS
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6RTG
 | | Crystal structure of the UDP-bound glycosyltransferase domain from the YGT toxin | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Wirth, C, Bogdanovic, X, Kao, W.-C, Hunte, C. | | Deposit date: | 2019-05-23 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inverse control of Rab proteins byYersiniaADP-ribosyltransferase and glycosyltransferase related to clostridial glucosylating toxins.
Sci Adv, 6, 2020
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159D
 | | SIDE BY SIDE BINDING OF TWO DISTAMYCIN A DRUGS IN THE MINOR GROOVE OF AN ALTERNATING B-DNA DUPLEX | | Descriptor: | DISTAMYCIN A, DNA (5'-D(*IP*CP*IP*CP*IP*CP*IP*C)-3'), MAGNESIUM ION | | Authors: | Chen, X, Ramakrishnan, B, Rao, S.T, Sundaralingam, M. | | Deposit date: | 1994-02-10 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding of two distamycin A molecules in the minor groove of an alternating B-DNA duplex.
Nat.Struct.Biol., 1, 1994
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6VPW
 | | 1.90 Angstrom Resolution Crystal Structure Chemotaxis protein CheX from Vibrio vulnificus | | Descriptor: | Chemotaxis protein CheX | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Wiersum, G, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-04 | | Release date: | 2021-02-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.90 Angstrom Resolution Crystal Structure Chemotaxis protein CheX from Vibrio vulnificus
To Be Published
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9PFM
 | | Crystal structure of human 15-PGDH in complex with small molecule compound 8b | | Descriptor: | 1,2-ETHANEDIOL, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine, ... | | Authors: | Shaik, M.M, Brennan, D. | | Deposit date: | 2025-07-06 | | Release date: | 2025-09-03 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Knowledge and Structure-Based Drug Design of 15-PGDH Inhibitors.
J.Med.Chem., 68, 2025
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8CJ0
 | | E. coli NfsB-T41Q/N71S/F124T/M127V mutant bound to nicotinate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ... | | Authors: | White, S.A, Hyde, E.I, Day, M.A. | | Deposit date: | 2023-02-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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8CT0
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