5HLY
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6YX8
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![BU of 6yx8 by Molmil](/molmil-images/mine/6yx8) | The structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the C2221 crystal form. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ... | Authors: | Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J. | Deposit date: | 2020-04-30 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13 To Be Published
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6KDM
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![BU of 6kdm by Molmil](/molmil-images/mine/6kdm) | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:entecavir 5'-triphosphate ternary complex | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | Deposit date: | 2019-07-02 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine. Sci Rep, 10, 2020
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6YZF
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![BU of 6yzf by Molmil](/molmil-images/mine/6yzf) | Crystal structure of the M295Y variant of Ssl1 | Descriptor: | COPPER (II) ION, Copper oxidase, GLU-HIS-SER, ... | Authors: | Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I. | Deposit date: | 2020-05-06 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase To Be Published
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7RIH
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![BU of 7rih by Molmil](/molmil-images/mine/7rih) | hyen D | Descriptor: | CITRATE ANION, Cyclotide hyen-D, D-[I11L]hyen D | Authors: | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | Deposit date: | 2021-07-20 | Release date: | 2021-09-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides Molecules, 26(18), 2021
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6YSV
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5HMD
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6BO1
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![BU of 6bo1 by Molmil](/molmil-images/mine/6bo1) | Mono-adduct formed after 3 days in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL | Descriptor: | Lysozyme C, SODIUM ION, dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2017-11-17 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct. Chem. Commun. (Camb.), 54, 2018
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7RS8
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![BU of 7rs8 by Molmil](/molmil-images/mine/7rs8) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-16 | Descriptor: | (1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-11 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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6YXZ
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5HMQ
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6QLP
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![BU of 6qlp by Molmil](/molmil-images/mine/6qlp) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 3 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3, ... | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.081 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
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6BOC
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![BU of 6boc by Molmil](/molmil-images/mine/6boc) | Influenza A M2 transmembrane domain bound to rimantadine in the Inward(open) conformation | Descriptor: | (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2, ... | Authors: | Thomaston, J.L, DeGrado, W.F. | Deposit date: | 2017-11-19 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters. J. Am. Chem. Soc., 140, 2018
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7LSW
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![BU of 7lsw by Molmil](/molmil-images/mine/7lsw) | Structure of Full Beta-Hairpin LIR from FNIP2 Bound to GABARAP | Descriptor: | Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein, SULFATE ION | Authors: | Appleton, B.A. | Deposit date: | 2021-02-18 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis. Sci Adv, 7, 2021
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7RRX
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![BU of 7rrx by Molmil](/molmil-images/mine/7rrx) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19 | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CHLORIDE ION, Estrogen receptor | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2021-08-10 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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6YVQ
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![BU of 6yvq by Molmil](/molmil-images/mine/6yvq) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in apo form | Descriptor: | 1,2-ETHANEDIOL, Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2020-04-28 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
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5HOW
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6QLU
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![BU of 6qlu by Molmil](/molmil-images/mine/6qlu) | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-8 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
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6GHZ
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8SWD
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7LC5
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6YX7
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![BU of 6yx7 by Molmil](/molmil-images/mine/6yx7) | The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the P21212 crystal form. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ... | Authors: | Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J. | Deposit date: | 2020-04-30 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13 To Be Published
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6GI6
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![BU of 6gi6 by Molmil](/molmil-images/mine/6gi6) | Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl core. | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ... | Authors: | Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. J. Med. Chem., 61, 2018
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6YZD
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5VL2
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![BU of 5vl2 by Molmil](/molmil-images/mine/5vl2) | |