5E0F
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![BU of 5e0f by Molmil](/molmil-images/mine/5e0f) | Human pancreatic alpha-amylase in complex with mini-montbretin A | Descriptor: | 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside, CALCIUM ION, CHLORIDE ION, ... | Authors: | Caner, S, Brayer, G.D. | Deposit date: | 2015-09-28 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Human pancreatic alpha-amylase in complex with mini-montbretin A To Be Published
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8EY5
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![BU of 8ey5 by Molmil](/molmil-images/mine/8ey5) | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3 | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | Authors: | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-26 | Release date: | 2022-11-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
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7ZZL
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![BU of 7zzl by Molmil](/molmil-images/mine/7zzl) | Crystal structure of CYP106A1 | Descriptor: | COBALT (II) ION, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ... | Authors: | Carius, Y, Kiss, F, Hutter, M, Bernhardt, R, Lancaster, C.R.D. | Deposit date: | 2022-05-25 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural comparison of the cytochrome P450 enzymes CYP106A1 and CYP106A2 provides insight into their differences in steroid conversion. Febs Lett., 596, 2022
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3M9Z
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![BU of 3m9z by Molmil](/molmil-images/mine/3m9z) | Crystal Structure of extracellular domain of mouse NKR-P1A | Descriptor: | Killer cell lectin-like receptor subfamily B member 1A, PHOSPHATE ION | Authors: | Kolenko, P, Rozbesky, D, Bezouska, K, Hasek, J, Dohnalek, J. | Deposit date: | 2010-03-23 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular architecture of mouse activating NKR-P1 receptors. J.Struct.Biol., 175, 2011
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5KPK
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![BU of 5kpk by Molmil](/molmil-images/mine/5kpk) | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | Descriptor: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-07-04 | Release date: | 2018-03-14 | Last modified: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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8IHS
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![BU of 8ihs by Molmil](/molmil-images/mine/8ihs) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with ochratoxin A | Descriptor: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-23 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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8EVU
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![BU of 8evu by Molmil](/molmil-images/mine/8evu) | Cryo EM structure of Vibrio cholerae NQR | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit A, ... | Authors: | Fuller, J.R, Juarez, O. | Deposit date: | 2022-10-20 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (2.5804 Å) | Cite: | Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR To Be Published
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7ZJB
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![BU of 7zjb by Molmil](/molmil-images/mine/7zjb) | Structural and functional characterization of the bacterial lytic polysaccharide Monooxygenase ScLPMO10D | Descriptor: | COPPER (II) ION, Putative secreted cellulose-binding protein, SODIUM ION, ... | Authors: | Votvik, A.K, Rohr, A.K, Stepnov, A.A, Bissaro, B, Sorlie, M, Eijsink, V.G.H, Forsberg, Z. | Deposit date: | 2022-04-10 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural and functional characterization of the catalytic domain of a cell-wall anchored bacterial lytic polysaccharide monooxygenase from Streptomyces coelicolor. Sci Rep, 13, 2023
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8EW7
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![BU of 8ew7 by Molmil](/molmil-images/mine/8ew7) | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 2 | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | Authors: | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-21 | Release date: | 2022-11-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
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1CNO
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![BU of 1cno by Molmil](/molmil-images/mine/1cno) | STRUCTURE OF PSEUDOMONAS NAUTICA CYTOCHROME C552, BY MAD METHOD | Descriptor: | CYTOCHROME C552, GLYCEROL, HEME C | Authors: | Brown, K, Nurizzo, D, Cambillau, C. | Deposit date: | 1998-08-03 | Release date: | 1999-07-22 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | MAD structure of Pseudomonas nautica dimeric cytochrome c552 mimicks the c4 Dihemic cytochrome domain association. J.Mol.Biol., 289, 1999
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7ZGL
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![BU of 7zgl by Molmil](/molmil-images/mine/7zgl) | |
5TCY
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![BU of 5tcy by Molmil](/molmil-images/mine/5tcy) | A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with CeuE (H227L variant), a periplasmic protein from Campylobacter jejuni. | Descriptor: | Enterochelin uptake periplasmic binding protein, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide) | Authors: | Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-09-16 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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5T99
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![BU of 5t99 by Molmil](/molmil-images/mine/5t99) | |
8IHR
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![BU of 8ihr by Molmil](/molmil-images/mine/8ihr) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with Phe | Descriptor: | Amidohydrolase family protein, PHENYLALANINE, ZINC ION | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-23 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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5WW3
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8IHQ
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![BU of 8ihq by Molmil](/molmil-images/mine/8ihq) | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 | Descriptor: | Amidohydrolase family protein, ZINC ION | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-23 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase. J Hazard Mater, 458, 2023
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6WV6
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![BU of 6wv6 by Molmil](/molmil-images/mine/6wv6) | Human VKOR with phenindione | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phenindione, Vitamin K epoxide reductase, ... | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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8F2I
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![BU of 8f2i by Molmil](/molmil-images/mine/8f2i) | P53 monomer structure | Descriptor: | Cellular tumor antigen p53 | Authors: | Solares, M, Kelly, D.F. | Deposit date: | 2022-11-08 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | High-Resolution Imaging of Human Cancer Proteins Using Microprocessor Materials. Chembiochem, 23, 2022
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6WVF
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![BU of 6wvf by Molmil](/molmil-images/mine/6wvf) | E.coli DsbB C104S with ubiquinone | Descriptor: | Green fluorescent protein,Disulfide bond formation protein B,Green fluorescent protein, UBIQUINONE-1 | Authors: | Liu, S, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2021-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Termini restraining of small membrane proteins enables structure determination at near-atomic resolution. Sci Adv, 6, 2020
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8I0C
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![BU of 8i0c by Molmil](/molmil-images/mine/8i0c) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7LYX
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![BU of 7lyx by Molmil](/molmil-images/mine/7lyx) | Crystal structure of human CYP8B1 in complex with (S)-tioconazole | Descriptor: | (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ... | Authors: | Liu, J, Scott, E.E. | Deposit date: | 2021-03-08 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes. J.Biol.Chem., 298, 2022
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8F2H
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![BU of 8f2h by Molmil](/molmil-images/mine/8f2h) | |
5W14
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![BU of 5w14 by Molmil](/molmil-images/mine/5w14) | ADC-7 in complex with boronic acid transition state inhibitor S03043 | Descriptor: | 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid, Beta-lactamase | Authors: | Smolen, K.A, Powers, R.A, Wallar, B.J. | Deposit date: | 2017-06-01 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors. ACS Infect Dis, 4, 2018
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5YWH
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![BU of 5ywh by Molmil](/molmil-images/mine/5ywh) | Crystal structure of Arabidopsis thaliana HPPD complexed with Y13508 | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION, [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone | Authors: | Yang, W.C, Lin, H.Y. | Deposit date: | 2017-11-29 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal structure of Arabidopsis thaliana HPPD complexed with Y13508 To be published
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3MBW
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![BU of 3mbw by Molmil](/molmil-images/mine/3mbw) | Crystal structure of the human ephrin A2 LBD and CRD domains in complex with ephrin A1 | Descriptor: | Ephrin type-A receptor 2, Ephrin-A1, UNKNOWN ATOM OR ION, ... | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-26 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Architecture of Eph receptor clusters. Proc.Natl.Acad.Sci.USA, 107, 2010
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