6QD5
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![BU of 6qd5 by Molmil](/molmil-images/mine/6qd5) | X-ray Structure of the Human Urea Channel SLC14A1/UT1 | Descriptor: | CHOLESTEROL HEMISUCCINATE, TETRAETHYLENE GLYCOL, Urea transporter 1, ... | Authors: | Dietz, L, Chi, G, Pike, A.C.W, Moreau, C, Man, H, Snee, M, Scacioc, A, Shrestha, L, Mukhopadhyay, S.M.M, Mckinley, G, Ellis, K, Kliszcak, M, Chalk, R, Borkowska, O, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Durr, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-31 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | X-ray Structure of the Human Urea Channel SLC14A1/UT1 To Be Published
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6FET
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![BU of 6fet by Molmil](/molmil-images/mine/6fet) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1439 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-01-03 | Release date: | 2019-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-1439 To be published
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6FIU
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6FJ3
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![BU of 6fj3 by Molmil](/molmil-images/mine/6fj3) | High resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist. | Descriptor: | ACETIC ACID, CHLORIDE ION, OLEIC ACID, ... | Authors: | Ehrenmann, J, Schoppe, J, Klenk, C, Rappas, M, Kummer, L, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-01-19 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High-resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist. Nat. Struct. Mol. Biol., 25, 2018
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5LZ4
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![BU of 5lz4 by Molmil](/molmil-images/mine/5lz4) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | Authors: | Woolford, A, Day, P. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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6FKJ
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![BU of 6fkj by Molmil](/molmil-images/mine/6fkj) | Tubulin-TUB075 complex | Descriptor: | (5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Prota, A.E, Steinmetz, M.O, Priego, E.-M. | Deposit date: | 2018-01-24 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design. Sci Rep, 8, 2018
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1XSA
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![BU of 1xsa by Molmil](/molmil-images/mine/1xsa) | Structure of the nudix enzyme AP4A hydrolase from homo sapiens (E63A mutant) | Descriptor: | Bis(5'-nucleosyl)-tetraphosphatase | Authors: | Swarbrick, J.D, Buyya, S, Gunawardana, D, Gayler, K.R, McLennan, A.G, Gooley, P.R. | Deposit date: | 2004-10-18 | Release date: | 2004-12-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure and Substrate-binding Mechanism of Human Ap4A Hydrolase J.Biol.Chem., 280, 2005
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7WCL
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![BU of 7wcl by Molmil](/molmil-images/mine/7wcl) | Crystal structure of FGFR1 kinase domain with Pemigatinib | Descriptor: | 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION | Authors: | Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H. | Deposit date: | 2021-12-20 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants. Commun Chem, 5, 2022
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8H7C
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![BU of 8h7c by Molmil](/molmil-images/mine/8h7c) | Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) - Pt derivative | Descriptor: | ACETATE ION, CHLORIDE ION, De novo ferric enterobactin esterase Syn-F4, ... | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
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6FFD
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![BU of 6ffd by Molmil](/molmil-images/mine/6ffd) | |
8QAG
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8PNO
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2O44
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![BU of 2o44 by Molmil](/molmil-images/mine/2o44) | Structure of 23S rRNA of the large ribosomal subunit from Deinococcus radiodurans in complex with the macrolide josamycin | Descriptor: | (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(ACETYLOXY)-10-HYDROXY-5-METHOXY-9,16-DIMETHYL-2-OXO-7-(2-OXOETHYL)OXACYCLOHEXADECA-12,14-DIEN-6-YL]OXY}-4-(DIMETHYLAMINO)-5-HYDROXY-2-METHYLTETRAHYDRO-2H-PYRAN-3-YL]OXY}-4-HYDROXY-2,4-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL 3-METHYLBUTANOATE, 23S rRNA | Authors: | Pyetan, E, Daram, D, Auerbach-Nevo, T, Yonath, A. | Deposit date: | 2006-12-03 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Chemical parameters influencing fine tuning in the binding of Macrolide antibiotics to the ribosomal tunnel TO BE PUBLISHED
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6BO0
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![BU of 6bo0 by Molmil](/molmil-images/mine/6bo0) | MdbA protein, a thiol-disulfide oxidoreductase from Corynebacterium matruchotii | Descriptor: | MdbA protein, TETRAETHYLENE GLYCOL | Authors: | Osipiuk, J, Luong, T.Y, Trigar, R, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-11-17 | Release date: | 2017-12-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Basis of a Thiol-Disulfide Oxidoreductase in the Hedgehog-Forming Actinobacterium Corynebacterium matruchotii. J. Bacteriol., 200, 2018
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2CEK
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![BU of 2cek by Molmil](/molmil-images/mine/2cek) | Conformational Flexibility in the Peripheral Site of Torpedo californica Acetylcholinesterase Revealed by the Complex Structure with a Bifunctional Inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sanson, B, Colletier, J.P, Nachon, F, Gabellieri, E, Fattorusso, C, Campiani, G, Weik, M. | Deposit date: | 2006-02-08 | Release date: | 2006-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational flexibility in the peripheral site of Torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor. J. Am. Chem. Soc., 128, 2006
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8EXH
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![BU of 8exh by Molmil](/molmil-images/mine/8exh) | Agrobacterium tumefaciens Tpilus | Descriptor: | (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate, Protein virB2 | Authors: | Beltran, L.C, Egelman, E.H. | Deposit date: | 2022-10-25 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery Nat Commun, 14, 2023
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6QCD
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![BU of 6qcd by Molmil](/molmil-images/mine/6qcd) | Human Sirt6 in complex with ADP-ribose and the activator quercetin | Descriptor: | 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2018-12-27 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives. Sci Rep, 9, 2019
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6C1W
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![BU of 6c1w by Molmil](/molmil-images/mine/6c1w) | A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase | Descriptor: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, Lactate racemase, ... | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2018-01-05 | Release date: | 2018-03-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism. Biochemistry, 57, 2018
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1OAA
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![BU of 1oaa by Molmil](/molmil-images/mine/1oaa) | MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ... | Authors: | Auerbach, G, Herrmann, A, Bacher, A, Huber, R. | Deposit date: | 1997-08-25 | Release date: | 1999-02-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters. EMBO J., 16, 1997
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8QFX
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![BU of 8qfx by Molmil](/molmil-images/mine/8qfx) | Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide IPP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gregory, K.S, Acharya, K.R, Cozier, G.E. | Deposit date: | 2023-09-05 | Release date: | 2023-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the inhibitory mechanism of angiotensin-I-converting enzyme by the lactotripeptides IPP and VPP. Febs Lett., 598, 2024
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8ESW
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![BU of 8esw by Molmil](/molmil-images/mine/8esw) | Structure of mitochondrial complex I from Drosophila melanogaster, Flexible-class 1 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Padavannil, A, Letts, J.A. | Deposit date: | 2022-10-15 | Release date: | 2023-03-29 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state. Elife, 12, 2023
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5NQC
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![BU of 5nqc by Molmil](/molmil-images/mine/5nqc) | CK2alpha in complex with NMR154 | Descriptor: | (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Seetoh, W.-G, Stubbs, C.J. | Deposit date: | 2017-04-19 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Disrupting the CK2alpha-CK2beta protein-protein interaction within the protein kinase CK2 heterotetramer using a fragment-based approach To Be Published
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6FXP
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![BU of 6fxp by Molmil](/molmil-images/mine/6fxp) | Crystal structure of S. aureus glucosaminidase B | Descriptor: | CHLORIDE ION, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Pintar, S, Turk, D. | Deposit date: | 2018-03-09 | Release date: | 2019-03-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Domain sliding of two Staphylococcus aureus N-acetylglucosaminidases enables their substrate-binding prior to its catalysis. Commun Biol, 3, 2020
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8QHL
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![BU of 8qhl by Molmil](/molmil-images/mine/8qhl) | Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide VPP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Gregory, K.S, Cozier, G.E, Acharya, K.R. | Deposit date: | 2023-09-08 | Release date: | 2023-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the inhibitory mechanism of angiotensin-I-converting enzyme by the lactotripeptides IPP and VPP. Febs Lett., 598, 2024
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5M8B
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![BU of 5m8b by Molmil](/molmil-images/mine/5m8b) | |