5FQL
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![BU of 5fql by Molmil](/molmil-images/mine/5fql) | Insights into Hunter syndrome from the structure of iduronate-2- sulfatase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J. | Deposit date: | 2015-12-11 | Release date: | 2017-01-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into Hunter syndrome from the structure of iduronate-2-sulfatase. Nat Commun, 8, 2017
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6HM9
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5UOS
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![BU of 5uos by Molmil](/molmil-images/mine/5uos) | Crystal Structure of CblC (MMACHC) (1-238), a human B12 processing enzyme, complexed with an Antivitamin B12 | Descriptor: | 1-ethynyl-2,4-difluorobenzene, 2-PHENYLAMINO-ETHANESULFONIC ACID, COBALAMIN, ... | Authors: | Shanmuganathan, A, Karasik, A, Ruetz, M, Banerjee, R, Krautler, B, Koutmos, M. | Deposit date: | 2017-02-01 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme CblC: Crystal Structure of an Inactive Ternary Complex with Glutathione as the Cosubstrate. Angew. Chem. Int. Ed. Engl., 56, 2017
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7LLI
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![BU of 7lli by Molmil](/molmil-images/mine/7lli) | Stimulatory immune receptor protein complex | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | Authors: | Rice, M.T, Littler, D.R, Rossjohn, J, Gully, B.S. | Deposit date: | 2021-02-04 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Recognition of the antigen-presenting molecule MR1 by a V delta 3 + gamma delta T cell receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
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8AA8
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5G13
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6HMF
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![BU of 6hmf by Molmil](/molmil-images/mine/6hmf) | D-family DNA polymerase - DP1 subunit (3'-5' proof-reading exonuclease) H451 proof-reading deficient variant | Descriptor: | ACETATE ION, CACODYLATE ION, CALCIUM ION, ... | Authors: | Raia, P, Delarue, M, Sauguet, L. | Deposit date: | 2018-09-12 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the DP1-DP2 PolD complex bound with DNA and its implications for the evolutionary history of DNA and RNA polymerases. PLoS Biol., 17, 2019
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8ABO
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5UOY
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![BU of 5uoy by Molmil](/molmil-images/mine/5uoy) | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 16j (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | Descriptor: | 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | Authors: | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | Deposit date: | 2017-02-01 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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7LLJ
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![BU of 7llj by Molmil](/molmil-images/mine/7llj) | Inhibitory immune receptor protein complex | Descriptor: | Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ... | Authors: | Rice, M.T, Littler, D.R, Rossjohn, J, Gully, B.S. | Deposit date: | 2021-02-04 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Recognition of the antigen-presenting molecule MR1 by a V delta 3 + gamma delta T cell receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
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8ABR
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![BU of 8abr by Molmil](/molmil-images/mine/8abr) | Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid | Descriptor: | Cytochrome P450, HEME B/C, HEXANOIC ACID, ... | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | Deposit date: | 2022-07-04 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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7LQU
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![BU of 7lqu by Molmil](/molmil-images/mine/7lqu) | Crystal Structure of HIV-1 RT in Complex with NBD-14075 | Descriptor: | Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ... | Authors: | Losada, N, Ruiz, F.X, Gruber, K, Das, K, Arnold, E. | Deposit date: | 2021-02-15 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J.Med.Chem., 64, 2021
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8ABS
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![BU of 8abs by Molmil](/molmil-images/mine/8abs) | Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid | Descriptor: | (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | Deposit date: | 2022-07-04 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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8SAF
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6Q5S
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![BU of 6q5s by Molmil](/molmil-images/mine/6q5s) | Crystal structure of a de novo designed antiparallel four-helix coiled coil apCC-Tet | Descriptor: | apCC-Tet | Authors: | Beesley, J.L, Guto, G.R, Wood, C.W, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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6I09
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6FQT
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![BU of 6fqt by Molmil](/molmil-images/mine/6fqt) | Crystal structure of CREBBP bromodomain complexd with DR46 | Descriptor: | CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of CREBBP bromodomain complexd with DR46 To Be Published
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7LOV
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![BU of 7lov by Molmil](/molmil-images/mine/7lov) | Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and noeuromycin | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Harijan, R.K, Paparella, A.S, Aboulache, B.L, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2021-02-10 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues. Nat Commun, 12, 2021
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8ACK
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5FWW
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![BU of 5fww by Molmil](/molmil-images/mine/5fww) | Wnt modulator Kremen in complex with DKK1 (CRD2) and LRP6 (PE3PE4) | Descriptor: | CALCIUM ION, DICKKOPF-RELATED PROTEIN 1, KREMEN PROTEIN 1, ... | Authors: | Zebisch, M, Jackson, V.A, Jones, E.Y. | Deposit date: | 2016-02-21 | Release date: | 2016-07-20 | Last modified: | 2016-09-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf Structure, 24, 2016
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7QHW
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![BU of 7qhw by Molmil](/molmil-images/mine/7qhw) | TTBK1 kinase domain in complex with inhibitor 29 | Descriptor: | GLYCEROL, SULFATE ION, Tau-tubulin kinase 1, ... | Authors: | Nozal, V, Liehta, D. | Deposit date: | 2021-12-14 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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5UQJ
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![BU of 5uqj by Molmil](/molmil-images/mine/5uqj) | Structure of yeast Usb1 | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Didychuk, A.L, Montemayor, E.J, Butcher, S.E. | Deposit date: | 2017-02-08 | Release date: | 2017-08-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Usb1 controls U6 snRNP assembly through evolutionarily divergent cyclic phosphodiesterase activities. Nat Commun, 8, 2017
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6Q63
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![BU of 6q63 by Molmil](/molmil-images/mine/6q63) | BT0459 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, CALCIUM ION, ... | Authors: | Basle, A, Crouch, L, Bolam, D. | Deposit date: | 2018-12-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci. Nat Microbiol, 4, 2019
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5FNL
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![BU of 5fnl by Molmil](/molmil-images/mine/5fnl) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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7QR4
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![BU of 7qr4 by Molmil](/molmil-images/mine/7qr4) | human CPEB3 HDV-like ribozyme | Descriptor: | RNA CPEB3 ribozyme, U1 small nuclear ribonucleoprotein A | Authors: | Przytula-Mally, A.I, Engilberge, S, Johannsen, S, Olieric, V, Masquida, B, Sigel, R.K.O. | Deposit date: | 2022-01-17 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Anticodon-like loop-mediated dimerization in the crystal structures of HdV-like CPEB3 ribozymes Biorxiv, 2022
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