8TFH
 
 | | Ricin in complex with Fab JB4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, JB4 monoclonal antibody heavy chain, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2023-07-11 | | Release date: | 2024-04-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Structural Basis of Antibody-Mediated Inhibition of Ricin Toxin Attachment to Host Cells.
Biochemistry, 62, 2023
|
|
6QC2
 | | Ovine respiratory supercomplex I+III2 open class 2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | | Authors: | Letts, J.A, Sazanov, L.A. | | Deposit date: | 2018-12-26 | | Release date: | 2019-08-21 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
|
|
6AI7
 | | Mandelate oxidase mutant-Y128F with the C4a-OH-FMN adduct | | Descriptor: | 1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase | | Authors: | Li, T.L, Lin, K.H. | | Deposit date: | 2018-08-21 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The crystal structure of Mandelate oxidase mutant-Y128F with the C4a-OH-FMN adduct
To Be Published
|
|
9JP3
 | | COMPLEX STRUCTURE OF ENDO-1,3-FUCANASE MUTANT D171A WITH FUCOTETRAOSE | | Descriptor: | 2-O-sulfo-alpha-L-fucopyranose-(1-3)-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose, Glycoside-hydrolase family GH114 TIM-barrel domain-containing protein | | Authors: | Chen, G.N, Chang, Y.G. | | Deposit date: | 2024-09-25 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Complex structure of endo-1.3-fucanase mutant D171A with fucotetraose at 1.40 Angstroms resulution.
To Be Published
|
|
9JOO
 | | COMPLEX STRUCTURE OF ENDO-1,3-FUCANASE (FUN168E) WITH FUCOTETRAOSES | | Descriptor: | 2-O-sulfo-alpha-L-fucopyranose-(1-3)-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose, Glycoside-hydrolase family GH114 TIM-barrel domain-containing protein | | Authors: | Chen, G.N, Chang, Y.G. | | Deposit date: | 2024-09-25 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Complex structure of endo-1.3-fucanase (Fun168E) with fucotetraoses at 1.97 Angstroms resulution.
To Be Published
|
|
5NIW
 | | Glucose oxydase mutant A2 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hoffmann, K, Frank, D. | | Deposit date: | 2017-03-27 | | Release date: | 2017-11-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
|
|
7TZP
 | | Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (FabG) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044 in Complex with NADH | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-ACP reductase, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-02-16 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
|
|
5NO1
 | |
6TQM
 | | Escherichia coli AdhE structure in its compact conformation | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Aldehyde-alcohol dehydrogenase, FE (III) ION | | Authors: | Fronzes, R, Pony, P. | | Deposit date: | 2019-12-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Filamentation of the bacterial bi-functional alcohol/aldehyde dehydrogenase AdhE is essential for substrate channeling and enzymatic regulation.
Nat Commun, 11, 2020
|
|
5KBZ
 | | Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic | | Descriptor: | (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate, Noranthrone synthase | | Authors: | Tsai, S.C, Burkart, M.D, Townsend, C.A, Barajas, J.F, Shakya, G, Topper, C.L, Moreno, G, Jackson, D.R, Rivera, H, La Clair, J.J, Vagstad, A. | | Deposit date: | 2016-06-03 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5U27
 | |
5XA1
 | | Crystal structure of inositol 1,4,5-trisphosphate receptor cytosolic domain with inositol 1,4,5-trisphosphate | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | | Authors: | Hamada, K, Miyatake, H, Terauchi, A, Mikoshiba, K. | | Deposit date: | 2017-03-10 | | Release date: | 2017-04-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (6.204 Å) | | Cite: | IP3-mediated gating mechanism of the IP3 receptor revealed by mutagenesis and X-ray crystallography
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
8WU5
 | | The complex of CAG repeat sequence-specific binding cPIP and dsDNA with A-A mismatch | | Descriptor: | (1^2Z,4^2Z,11^2Z,14^2Z,22^2Z,25^2Z,32^2Z,35^2Z,19R,40R)-1^1,4^1,11^1,14^1,22^1,25^1,32^1,35^1-octamethyl-2,5,9,12,15,20,23,26,30,33,36,41-dodecaoxo-1^1H,4^1H,11^1H,14^1H,22^1H,25^1H,32^1H,35^1H-3,6,10,13,16,21,24,27,31,34,37,42-dodecaaza-1(2,4),11,22,32(4,2)-tetraimidazola-4,14,25,35(4,2)-tetrapyrrolacyclodotetracontaphane-19,40-diaminium, DNA (5'-D(*GP*CP*(CBR)P*GP*AP*GP*CP*AP*GP*CP*AP*CP*GP*GP*C)-3') | | Authors: | Abe, K, Takeda, K, Sugiyama, H. | | Deposit date: | 2023-10-20 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Studies of a Complex of a CAG/CTG Repeat Sequence-Specific Binding Molecule and A-A-Mismatch-Containing DNA.
Jacs Au, 4, 2024
|
|
8HAY
 | | d4-bound btDPP4 | | Descriptor: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | | Deposit date: | 2022-10-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
|
|
5E4R
 | | Crystal structure of domain-duplicated synthetic class II ketol-acid reductoisomerase 2Ia_KARI-DD | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase, ... | | Authors: | Cahn, J.K.B, Brinkmann-Chen, S, Buller, A.R, Arnold, F.H. | | Deposit date: | 2015-10-07 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Artificial domain duplication replicates evolutionary history of ketol-acid reductoisomerases.
Protein Sci., 25, 2016
|
|
5KGR
 | | Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 days) | | Descriptor: | CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ... | | Authors: | Balo, A.R, Feyrer, H, Ernst, O.P. | | Deposit date: | 2016-06-13 | | Release date: | 2017-02-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.473 Å) | | Cite: | Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
|
|
6AD4
 | | Rat Xanthine oxidoreductase, D428A variant, NADH bound form | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Okamoto, K, Kawaguchi, Y. | | Deposit date: | 2018-07-30 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rat Xanthine oxidoreductase, D428A variant, NAD bound form
To Be Published
|
|
5U47
 | | 1.95 Angstrom Resolution Crystal Structure of Penicillin Binding Protein 2X from Streptococcus thermophilus | | Descriptor: | ACETATE ION, CHLORIDE ION, Penicillin binding protein 2X | | Authors: | Minasov, G, Shuvalova, L, Cardona-Correa, A, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-03 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1.95 Angstrom Resolution Crystal Structure of Penicillin Binding Protein 2X from Streptococcus thermophilus.
To Be Published
|
|
6SNQ
 | | Crystal structures of human PGM1 isoform 2 | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Phosphoglucomutase-1, ZINC ION | | Authors: | Backe, P.H, Laerdahl, J.K, Kittelsen, L.S, Dalhus, B, Morkrid, L, Bjoras, M. | | Deposit date: | 2019-08-27 | | Release date: | 2020-04-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the alpha-D-phosphohexomutase superfamily.
Sci Rep, 10, 2020
|
|
6EX9
 | |
5NJD
 | | Structure of Interleukin 23 in complex with Briakinumab FAb | | Descriptor: | Briakinumab FAb Heavy chain, Briakinumab FAb Light chain, Interleukin-12 subunit beta, ... | | Authors: | Bloch, Y, Savvides, S.N. | | Deposit date: | 2017-03-28 | | Release date: | 2018-01-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
|
|
5UH0
 | | 1.95 Angstrom Resolution Crystal Structure of Fragment (35-274) of Membrane-bound Lytic Murein Transglycosylase F from Yersinia pestis. | | Descriptor: | CHLORIDE ION, Membrane-bound lytic murein transglycosylase F | | Authors: | Minasov, G, Shuvalova, L, Flores, K, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-01-10 | | Release date: | 2017-01-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1.95 Angstrom Resolution Crystal Structure of Fragment (35-274) of Membrane-bound Lytic Murein Transglycosylase F from Yersinia pestis.
To Be Published
|
|
5KKI
 | | 1.7-Angstrom in situ Mylar structure of hen egg-white lysozyme (HEWL) at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Broecker, J, Ernst, O.P. | | Deposit date: | 2016-06-21 | | Release date: | 2017-02-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals.
Cryst Growth Des, 16, 2016
|
|
9COX
 | | Crystal structure of CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, N-[(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2024-07-17 | | Release date: | 2025-01-08 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Evaluation of Larger Side-Group Functionalities and the Side/End-Group Interplay in Ritonavir-Like Inhibitors of CYP3A4.
Chem.Biol.Drug Des., 105, 2025
|
|
9COW
 | | Crystal structure of CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, GLYCEROL, N-[(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2024-07-17 | | Release date: | 2025-01-08 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evaluation of Larger Side-Group Functionalities and the Side/End-Group Interplay in Ritonavir-Like Inhibitors of CYP3A4.
Chem.Biol.Drug Des., 105, 2025
|
|
