6W6R
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![BU of 6w6r by Molmil](/molmil-images/mine/6w6r) | WT HTLV-1 Protease in Complex with UMass6 (UM6) | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, HTLV-1 Protease | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | To Be Determined To Be Published
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6PX5
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![BU of 6px5 by Molmil](/molmil-images/mine/6px5) | CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Prothrombin, ... | Authors: | Pelc, L.A, Koester, S.K, Chen, Z, Gistover, N, Di Cera, E. | Deposit date: | 2019-07-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin. Sci Rep, 9, 2019
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6W6S
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![BU of 6w6s by Molmil](/molmil-images/mine/6w6s) | WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6) | Descriptor: | HTLV-1 Protease, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2020-03-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | To Be Determined To Be Published
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6T5E
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![BU of 6t5e by Molmil](/molmil-images/mine/6t5e) | Hydroxylamine Oxidoreductase from Brocadia fulgida | Descriptor: | HEME C, Hydroxylamine oxidoreductase-like protein, SULFATE ION | Authors: | Akram, M, Dietl, A, Mueller, M, Barends, T. | Deposit date: | 2019-10-16 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Purification of the key enzyme complexes of the anammox pathway from DEMON sludge. Biopolymers, 112, 2021
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6NJC
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![BU of 6njc by Molmil](/molmil-images/mine/6njc) | Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus | Descriptor: | ACETIC ACID, CHLORIDE ION, FORMIC ACID, ... | Authors: | Kim, Y, Li, H, Biglow, L, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2019-01-03 | Release date: | 2019-01-16 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus To Be Published
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8DJZ
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![BU of 8djz by Molmil](/molmil-images/mine/8djz) | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound product | Descriptor: | (4R)-4-hydroxypentanoic acid, CALCIUM ION, Gluconolactonase, ... | Authors: | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | Deposit date: | 2022-07-01 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone. J.Biol.Chem., 299, 2022
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7U1P
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![BU of 7u1p by Molmil](/molmil-images/mine/7u1p) | RFC:PCNA bound to DNA with a ssDNA gap of five nucleotides | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ... | Authors: | Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A. | Deposit date: | 2022-02-21 | Release date: | 2022-07-06 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA. Elife, 11, 2022
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5GG5
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![BU of 5gg5 by Molmil](/molmil-images/mine/5gg5) | Crystal structure of Mycobacterium smegmatis MutT1 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hydrolase, ... | Authors: | Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M. | Deposit date: | 2016-06-15 | Release date: | 2017-04-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association Acta Crystallogr D Struct Biol, 73, 2017
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6PYY
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![BU of 6pyy by Molmil](/molmil-images/mine/6pyy) | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site and Exo site | Descriptor: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | Deposit date: | 2019-07-31 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase. J.Am.Chem.Soc., 141, 2019
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6TE0
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![BU of 6te0 by Molmil](/molmil-images/mine/6te0) | Cryo-EM structure of Euglena gracilis mitochondrial ATP synthase, OSCP/F1/c-ring, rotational state 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F1 subunit gamma protein, ... | Authors: | Muhleip, A, Amunts, A. | Deposit date: | 2019-11-10 | Release date: | 2019-11-27 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Structure of a mitochondrial ATP synthase with bound native cardiolipin. Elife, 8, 2019
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4WH8
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![BU of 4wh8 by Molmil](/molmil-images/mine/4wh8) | Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog. | Descriptor: | Genome polyprotein, SULFATE ION, ZINC ION, ... | Authors: | Soumana, D.I, Ali, A, Schiffer, C.A. | Deposit date: | 2014-09-20 | Release date: | 2014-10-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease. Acs Chem.Biol., 9, 2014
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6NMV
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![BU of 6nmv by Molmil](/molmil-images/mine/6nmv) | Non-Blocking Fab 218 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | Descriptor: | Fab 218 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 218 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | Authors: | Wibowo, A.S, Carter, J.J, Sim, J. | Deposit date: | 2019-01-11 | Release date: | 2019-08-07 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha. Mabs, 11, 2019
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6TFS
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![BU of 6tfs by Molmil](/molmil-images/mine/6tfs) | Structure in P3212 form of the PBP/SBP MoaA in complex with glucopinic acid from A.tumefacien R10 | Descriptor: | (2~{S})-2-[[(3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid, ABC transporter substrate-binding protein, CHLORIDE ION, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2019-11-14 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Import pathways of the mannityl-opines into the bacterial pathogen Agrobacterium tumefaciens: structural, affinity and in vivo approaches. Biochem.J., 477, 2020
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6FIX
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![BU of 6fix by Molmil](/molmil-images/mine/6fix) | antitoxin GraA in complex with its operator | Descriptor: | DNA (30-MER), XRE family transcriptional regulator | Authors: | Talavera, A, Loris, R. | Deposit date: | 2018-01-19 | Release date: | 2019-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT. Nat Commun, 10, 2019
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7BVI
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![BU of 7bvi by Molmil](/molmil-images/mine/7bvi) | Crystal structure of Pennisetum glaucum monodehydroascorbate reductase | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pennisetum glaucum monodehydroascorbate reductase | Authors: | Sonkar, K.S, Arulandu, A, Achary, M.M, Reddy, M.K. | Deposit date: | 2020-04-10 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Biochemical and structural characterization of a robust and thermostable ascorbate recycling monodehydroascorbate reductase (MDHAR) from stress adapted pearl millet. Biochem.Biophys.Res.Commun., 662, 2023
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6QA9
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![BU of 6qa9 by Molmil](/molmil-images/mine/6qa9) | Isolated complex I class refinement from Ovine respiratory supercomplex I+III2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | Authors: | Letts, J.A, Sazanov, L.A. | Deposit date: | 2018-12-19 | Release date: | 2019-08-21 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019
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5MCH
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![BU of 5mch by Molmil](/molmil-images/mine/5mch) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 9.75 MGy | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | Authors: | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | Deposit date: | 2016-11-09 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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8DGX
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![BU of 8dgx by Molmil](/molmil-images/mine/8dgx) | |
6T93
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![BU of 6t93 by Molmil](/molmil-images/mine/6t93) | Nucleosome with OCT4-SOX2 motif at SHL-6 | Descriptor: | DNA (153-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Michael, A.K, Kempf, G, Cavadini, S, Bunker, R.D, Thoma, N.H. | Deposit date: | 2019-10-25 | Release date: | 2020-05-06 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Mechanisms of OCT4-SOX2 motif readout on nucleosomes. Science, 368, 2020
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7BHS
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![BU of 7bhs by Molmil](/molmil-images/mine/7bhs) | Crystal structure of MAT2a with quinazoline fragment 2 bound in the allosteric site | Descriptor: | 6-chloranyl-2-methoxy-4-phenyl-quinazoline, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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8H7E
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![BU of 8h7e by Molmil](/molmil-images/mine/8h7e) | Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) at 2.0 angstrom resolution | Descriptor: | ACETATE 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 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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4WHW
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![BU of 4whw by Molmil](/molmil-images/mine/4whw) | Direct photocapture of bromodomains using tropolone chemical probes | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | Authors: | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | Deposit date: | 2014-09-23 | Release date: | 2015-10-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.345 Å) | Cite: | Direct photocapture of bromodomains using tropolone chemical probes To Be Published
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6QC8
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![BU of 6qc8 by Molmil](/molmil-images/mine/6qc8) | Ovine respiratory complex I FRC open class 2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | Authors: | Letts, J.A, Sazanov, L.A. | Deposit date: | 2018-12-27 | Release date: | 2019-08-21 | Last modified: | 2019-10-02 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019
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6TGU
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![BU of 6tgu by Molmil](/molmil-images/mine/6tgu) | Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3 | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | Deposit date: | 2019-11-18 | Release date: | 2020-07-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.833 Å) | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem., 63, 2020
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6FKL
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![BU of 6fkl by Molmil](/molmil-images/mine/6fkl) | Tubulin-TUB015 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{1-[(2-Methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione, 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 (2.098 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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