8FSY
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8FSX
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8FT3
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1ICC
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![BU of 1icc by Molmil](/molmil-images/mine/1icc) | RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5 | Descriptor: | CYTOCHROME B5 OUTER MITOCHONDRIAL MEMBRANE ISOFORM, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Terzyan, S, Zhang, X. | Deposit date: | 2001-03-30 | Release date: | 2001-09-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the differences between rat liver outer mitochondrial membrane cytochrome b5 and microsomal cytochromes b5. Biochemistry, 40, 2001
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8FT1
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8FTL
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![BU of 8ftl by Molmil](/molmil-images/mine/8ftl) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2023-01-12 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 To Be Published
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4LY1
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8FSS
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![BU of 8fss by Molmil](/molmil-images/mine/8fss) | Complex Structure of YejA-S481A with Microcin C7 | Descriptor: | 5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine, Microcin C7 peptide portion, YejA | Authors: | Naik, S.K, Dong, S.-H. | Deposit date: | 2023-01-11 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Trojan Horse Peptide Conjugates Remodel the Activity Spectrum of Clinical Antibiotics To Be Published
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6Z1Y
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![BU of 6z1y by Molmil](/molmil-images/mine/6z1y) | Crystal structure of type-I ribosome-inactivating protein trichobakin (TBK) | Descriptor: | SODIUM ION, Trichobakin | Authors: | Boyko, K.M, Nikolaeva, A.Y, Britikov, V.V, Bocharov, E.V, Britikova, E.V, Le, T.B.T, Phan, C.V, Popov, V.O, Usanov, S.A. | Deposit date: | 2020-05-14 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of type-I ribosome-inactivating protein trichobakin (TBK) To Be Published
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7BPI
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![BU of 7bpi by Molmil](/molmil-images/mine/7bpi) | The crystal structue of PDE10A complexed with 14 | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | Deposit date: | 2020-03-22 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4000864 Å) | Cite: | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B, 10, 2020
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6ZLJ
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![BU of 6zlj by Molmil](/molmil-images/mine/6zlj) | Crystal Structure of UDP-Glucuronic acid 4-epimerase Y149F mutant from Bacillus cereus in complex with UDP-4-DEOXY-4-FLUORO-Glucuronic acid and NAD | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Iacovino, L.G, Mattevi, A. | Deposit date: | 2020-06-30 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction. J.Biol.Chem., 295, 2020
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8FSR
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![BU of 8fsr by Molmil](/molmil-images/mine/8fsr) | Complex Structure of YejA with fMccA | Descriptor: | Peptide Precursor of Microcin C7, YejA | Authors: | Naik, S.K, Dong, S.-H. | Deposit date: | 2023-01-11 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Trojan Horse Peptide Conjugates Remodel the Activity Spectrum of Clinical Antibiotics To Be Published
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6YSH
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6Z53
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![BU of 6z53 by Molmil](/molmil-images/mine/6z53) | Crystal structure of CLK3 in complex with macrocycle ODS2003128 | Descriptor: | 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003128 To Be Published
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6Z58
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![BU of 6z58 by Molmil](/molmil-images/mine/6z58) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one, SODIUM ION, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791 To Be Published
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6Z68
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![BU of 6z68 by Molmil](/molmil-images/mine/6z68) | A novel metagenomic alpha/beta-fold esterase | Descriptor: | Acetyl esterase/lipase, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J. | Deposit date: | 2020-05-28 | Release date: | 2020-12-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structures of a novel family IV esterase in free and substrate-bound form. Febs J., 288, 2021
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6Z82
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6Z8W
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![BU of 6z8w by Molmil](/molmil-images/mine/6z8w) | X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3G), which contains 1-beta-D-glucopyranosyl residue in the side chain of Thy3 at N3. | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ... | Authors: | Troisi, R, Timofeev, E.N, Sica, F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12. Mol Ther Nucleic Acids, 23, 2021
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6Z9K
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![BU of 6z9k by Molmil](/molmil-images/mine/6z9k) | CAP domain of Enterococcal PrgA | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PrgA | Authors: | Berntsson, R.P.A, Schmitt, A. | Deposit date: | 2020-06-04 | Release date: | 2020-09-16 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enterococcal PrgA Extends Far Outside the Cell and Provides Surface Exclusion to Protect against Unwanted Conjugation. J.Mol.Biol., 432, 2020
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1I5W
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![BU of 1i5w by Molmil](/molmil-images/mine/1i5w) | A-DNA DECAMER GCGTA(TLN)ACGC | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(TLN)P*AP*CP*GP*C)-3' | Authors: | Egli, M, Minasov, G, Teplova, M, Kumar, R, Wengel, J. | Deposit date: | 2001-03-01 | Release date: | 2001-04-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray crystal structure of a locked nucleic acid (LNA) duplex composed of a palindromic 10-mer DNA strand containing one LNA thymine monomer J.Chem.Soc.,Chem.Commun., 2001
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6ZAW
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![BU of 6zaw by Molmil](/molmil-images/mine/6zaw) | Damage-free NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2020-06-05 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures. Sci Adv, 7, 2021
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4XXP
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1I7W
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![BU of 1i7w by Molmil](/molmil-images/mine/1i7w) | BETA-CATENIN/PHOSPHORYLATED E-CADHERIN COMPLEX | Descriptor: | BETA-CATENIN, CHLORIDE ION, EPITHELIAL-CADHERIN, ... | Authors: | Huber, A.H, Weis, W.I. | Deposit date: | 2001-03-10 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of the beta-catenin/E-cadherin complex and the molecular basis of diverse ligand recognition by beta-catenin. Cell(Cambridge,Mass.), 105, 2001
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6ZFC
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![BU of 6zfc by Molmil](/molmil-images/mine/6zfc) | Fucose-binding lectin from Burkholderia ambifaria (BamBL) in complex with a fucosyl derivative | Descriptor: | 2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide, bacterial lectin from Burkholderia ambifaria | Authors: | Kuhaudomlarp, S, Gillon, E, Fragai, M, Cerofolini, L, Giuntini, S, Denis, M, Santarsia, S, Valori, C, Dondoni, A, Fallarini, S, Lombardi, G, Nativi, C, Imberty, A. | Deposit date: | 2020-06-17 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fucosylated ubiquitin and orthogonally glycosylated mutant A28C: conceptually new ligands for Burkholderia ambifaria lectin (BambL). Chem Sci, 11, 2020
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8FSQ
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![BU of 8fsq by Molmil](/molmil-images/mine/8fsq) | Complex Structure of YejA with Microcin C7 | Descriptor: | 5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine, Microcin C7 peptide portion, YejA | Authors: | Naik, S.K, Dong, S.-H. | Deposit date: | 2023-01-11 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Trojan Horse Peptide Conjugates Remodel the Activity Spectrum of Clinical Antibiotics To Be Published
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