8A3X
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![BU of 8a3x by Molmil](/molmil-images/mine/8a3x) | Imine Reductase from Ensifer adhaerens in complex with NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NAD_binding_2 domain-containing protein, POTASSIUM ION | Authors: | Gilio, A.K, Grogan, G. | Deposit date: | 2022-06-09 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Reductive Aminase Switches to Imine Reductase Mode for a Bulky Amine Substrate. Acs Catalysis, 13, 2023
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8BJ5
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![BU of 8bj5 by Molmil](/molmil-images/mine/8bj5) | |
1H8A
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![BU of 1h8a by Molmil](/molmil-images/mine/1h8a) | CRYSTAL STRUCTURE OF TERNARY PROTEIN-DNA COMPLEX3 | Descriptor: | CAAT/ENHANCER BINDING PROTEIN BETA, DNA(5'-(*CP*CP*AP*GP*TP*CP*CP*GP*TP*TP*AP* AP*GP*GP*AP*TP*TP*GP*CP*GP*CP*CP*AP*CP*AP*T)-3'), DNA(5'-(*GP*AP*TP*GP*TP*GP*GP*CP*GP*CP*AP* AP*TP*CP*CP*TP*TP*AP*AP*CP*GP*GP*AP*CP*TP*G)-3'), ... | Authors: | Tahirov, T.H, Ogata, K. | Deposit date: | 2001-01-31 | Release date: | 2002-01-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Mechanism of C-Myb-C/Ebpbeta Cooperation from Separated Sites on a Promoter Cell(Cambridge,Mass.), 108, 2002
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1H89
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![BU of 1h89 by Molmil](/molmil-images/mine/1h89) | CRYSTAL STRUCTURE OF TERNARY PROTEIN-DNA COMPLEX2 | Descriptor: | CAAT/ENHANCER BINDING PROTEIN BETA, DNA(5'-(*CP*CP*AP*GP*TP*CP*CP*GP*TP*TP*AP* AP*GP*GP*AP*TP*TP*GP*CP*GP*CP*CP*AP*CP*AP*T)-3'), DNA(5'-(*GP*AP*TP*GP*TP*GP*GP*CP*GP*CP*AP* AP*TP*CP*CP*TP*TP*AP*AP*CP*GP*GP*AP*CP*TP*G)-3'), ... | Authors: | Tahirov, T.H, Ogata, K. | Deposit date: | 2001-01-30 | Release date: | 2002-01-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Mechanism of C-Myb-C/Ebpbeta Cooperation from Separated Sites on a Promoter Cell(Cambridge,Mass.), 108, 2002
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6D9G
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7UE1
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![BU of 7ue1 by Molmil](/molmil-images/mine/7ue1) | HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor GRL-142 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Integrase, SULFATE ION | Authors: | Aoki, M, Aoki-Ogata, H, Bulut, H, Hayashi, H, Davis, D, Hasegawa, K, Yarchoan, R, Ghosh, A.K, Pau, A.K, Mitsuya, H. | Deposit date: | 2022-03-21 | Release date: | 2023-03-22 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | GRL-142 binds to and impairs HIV-1 integrase nuclear localization signal and potently suppresses highly INSTI-resistant HIV-1 variants. Sci Adv, 9, 2023
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5VHB
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5VIB
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5VI9
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6OYR
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![BU of 6oyr by Molmil](/molmil-images/mine/6oyr) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-002 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-05-15 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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7LIM
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![BU of 7lim by Molmil](/molmil-images/mine/7lim) | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S6E | Descriptor: | Maritimacin, RIBOFLAVIN | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | Deposit date: | 2021-01-27 | Release date: | 2022-02-09 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Pore structure controls stability and molecular flux in engineered protein cages. Sci Adv, 8, 2022
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7LIS
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![BU of 7lis by Molmil](/molmil-images/mine/7lis) | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S5D | Descriptor: | Maritimacin, RIBOFLAVIN | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | Deposit date: | 2021-01-27 | Release date: | 2022-02-09 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Pore structure controls stability and molecular flux in engineered protein cages. Sci Adv, 8, 2022
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7LIT
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![BU of 7lit by Molmil](/molmil-images/mine/7lit) | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S7G | Descriptor: | Maritimacin, RIBOFLAVIN | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | Deposit date: | 2021-01-27 | Release date: | 2022-02-09 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Pore structure controls stability and molecular flux in engineered protein cages. Sci Adv, 8, 2022
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8OZV
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![BU of 8ozv by Molmil](/molmil-images/mine/8ozv) | Imine Reductase from Ajellomyces dermatitidis in complex with 2,2-difluoroacetophenone | Descriptor: | 2,2-bis(fluoranyl)-1-phenyl-ethanone, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase | Authors: | Sharma, M, Grogan, G. | Deposit date: | 2023-05-09 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms. Acta Crystallogr.,Sect.F, 79, 2023
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8P23
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![BU of 8p23 by Molmil](/molmil-images/mine/8p23) | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, ATP/CTP-bound state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-14 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site Elife, 2023
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8P2J
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8P28
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![BU of 8p28 by Molmil](/molmil-images/mine/8p28) | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its tetrameric, dATP-bound state | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, MAGNESIUM ION | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-15 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site To Be Published
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8P27
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![BU of 8p27 by Molmil](/molmil-images/mine/8p27) | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, dATP-bound state | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, MAGNESIUM ION | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-15 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductases: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site Elife, 2023
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8OZW
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![BU of 8ozw by Molmil](/molmil-images/mine/8ozw) | Imine Reductase from Ajellomyces dermatitidis in complex NADPH4 | Descriptor: | 1,2-ETHANEDIOL, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, Oxidoreductase | Authors: | Sharma, M, Grogan, G. | Deposit date: | 2023-05-09 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms. Acta Crystallogr.,Sect.F, 79, 2023
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8P2C
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![BU of 8p2c by Molmil](/molmil-images/mine/8p2c) | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its tetrameric state produced in the presence of dATP and CTP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, MAGNESIUM ION | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-15 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site eLife, 2023
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8P2S
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![BU of 8p2s by Molmil](/molmil-images/mine/8p2s) | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, ATP/dTTP/GTP-bound state | Descriptor: | Anaerobic ribonucleoside-triphosphate reductase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Bimai, O, Banerjee, I, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-16 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site eLife, 2023
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8P2D
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![BU of 8p2d by Molmil](/molmil-images/mine/8p2d) | Cryo-EM structure of the dimeric form of the anaerobic ribonucleotide reductase from Prevotella copri produced in the presence of dATP and CTP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, MAGNESIUM ION | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-15 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site eLife, 2023
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8P39
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![BU of 8p39 by Molmil](/molmil-images/mine/8p39) | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, dGTP/ATP-bound state | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, ... | Authors: | Bimai, O, Banerjee, I, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-17 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site To be published
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8PBF
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![BU of 8pbf by Molmil](/molmil-images/mine/8pbf) | Galectin-3C in complex with a triazolesulfane derivative | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, THIOCYANATE ION | Authors: | Kumar, R, Mahanti, M. | Deposit date: | 2023-06-09 | Release date: | 2023-11-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds. J.Med.Chem., 66, 2023
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6H0T
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![BU of 6h0t by Molmil](/molmil-images/mine/6h0t) | Crystal structure of native recombinant human bile salt activated lipase | Descriptor: | ACETATE ION, Bile salt-activated lipase, GLYCEROL, ... | Authors: | Touvrey, C, Brazzolotto, X, Nachon, F. | Deposit date: | 2018-07-10 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of human bile-salt activated lipase conjugated to nerve agents surrogates. Toxicology, 411, 2019
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