5E5K
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![BU of 5e5k by Molmil](/molmil-images/mine/5e5k) | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease | Authors: | Kovalevsky, A.Y, Das, A. | Deposit date: | 2015-10-08 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION | Cite: | Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site. Angew.Chem.Int.Ed.Engl., 55, 2016
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2NPH
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![BU of 2nph by Molmil](/molmil-images/mine/2nph) | Crystal structure of HIV1 protease in situ product complex | Descriptor: | PROTEASE RETROPEPSIN, pentapeptide fragment, tetrapeptide fragment | Authors: | Hosur, M.V, Das, A, Prashar, V. | Deposit date: | 2006-10-27 | Release date: | 2006-12-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates Proc.Natl.Acad.Sci.Usa, 103, 2006
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8D2L
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![BU of 8d2l by Molmil](/molmil-images/mine/8d2l) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 1) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.21 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2P
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![BU of 8d2p by Molmil](/molmil-images/mine/8d2p) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Target bound) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA target strand (5'-D(P*CP*CP*AP*GP*GP*AP*TP*CP*TP*TP*GP*CP*CP*AP*TP*CP*CP*TP*AP*CP*CP*TP*CP*T)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2N
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![BU of 8d2n by Molmil](/molmil-images/mine/8d2n) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Pre-cleavage) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2K
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![BU of 8d2k by Molmil](/molmil-images/mine/8d2k) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 2) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2O
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![BU of 8d2o by Molmil](/molmil-images/mine/8d2o) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 2) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2Q
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![BU of 8d2q by Molmil](/molmil-images/mine/8d2q) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 1) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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3H4C
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![BU of 3h4c by Molmil](/molmil-images/mine/3h4c) | Structure of the C-terminal Domain of Transcription Factor IIB from Trypanosoma brucei | Descriptor: | 1,2-ETHANEDIOL, Transcription factor TFIIB-like | Authors: | Syed Ibrahim, B, Kanneganti, N, Rieckhof, G.E, Das, A, Laurents, D.V, Palenchar, J.B, Bellofatto, V, Wah, D.A. | Deposit date: | 2009-04-18 | Release date: | 2009-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the C-terminal domain of transcription factor IIB from Trypanosoma brucei. Proc.Natl.Acad.Sci.USA, 106, 2009
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3KT2
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![BU of 3kt2 by Molmil](/molmil-images/mine/3kt2) | Crystal Structure of N88D mutant HIV-1 Protease | Descriptor: | Protease | Authors: | Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V. | Deposit date: | 2009-11-24 | Release date: | 2010-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S. Biochem.Biophys.Res.Commun., 389, 2009
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3KT5
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![BU of 3kt5 by Molmil](/molmil-images/mine/3kt5) | Crystal Structure of N88S mutant HIV-1 Protease | Descriptor: | Protease | Authors: | Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V. | Deposit date: | 2009-11-24 | Release date: | 2010-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S. Biochem.Biophys.Res.Commun., 389, 2009
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2WHH
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![BU of 2whh by Molmil](/molmil-images/mine/2whh) | HIV-1 protease tethered dimer Q-product complex along with nucleophilic water molecule | Descriptor: | GLUTAMIC ACID, PARA-NITROPHENYLALANINE, POL PROTEIN | Authors: | Prashar, V, Bihani, S, Das, A, Ferrer, J.L, Hosur, M.V. | Deposit date: | 2009-05-05 | Release date: | 2009-12-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Catalytic Water Co-Existing with a Product Peptide in the Active Site of HIV-1 Protease Revealed by X- Ray Structure Analysis. Plos One, 4, 2009
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1JO1
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![BU of 1jo1 by Molmil](/molmil-images/mine/1jo1) | N7-Guanine Adduct of 2,7-diaminomitosene with DNA | Descriptor: | 5'-D(*GP*TP*GP*(DAJ)GP*TP*AP*TP*AP*CP*CP*AP*C)-3', DECARBAMOYL-2,7-DIAMINOMITOSENE | Authors: | Subramaniam, G, Paz, M.M, Kumar, G.S, Das, A, Palom, Y, Clement, C.C, Patel, D.J, Tomasz, M. | Deposit date: | 2001-07-26 | Release date: | 2001-09-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a guanine-N7-linked complex of the mitomycin C metabolite 2,7-diaminomitosene and DNA. Basis of sequence selectivity. Biochemistry, 40, 2001
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3DOX
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![BU of 3dox by Molmil](/molmil-images/mine/3dox) | X-ray structure of HIV-1 protease in situ product complex | Descriptor: | A PEPTIDE SUBSTRATE-PIV, A PEPTIDE SUBSTRATE-SQNY, HIV-1 PROTEASE | Authors: | Hosur, M.V, Ferrer, J.-L, Das, A, Prashar, V, Bihani, S. | Deposit date: | 2008-07-07 | Release date: | 2008-09-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of HIV-1 protease in situ product complex Proteins, 74, 2009
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3N3I
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![BU of 3n3i by Molmil](/molmil-images/mine/3n3i) | Crystal Structure of G48V/C95F tethered HIV-1 Protease/Saquinavir complex | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease | Authors: | Prashar, V, Bihani, S.C, Das, A, Rao, D.R, Hosur, M.V. | Deposit date: | 2010-05-20 | Release date: | 2010-06-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Insights into the mechanism of drug resistance: X-ray structure analysis of G48V/C95F tethered HIV-1 protease dimer/saquinavir complex Biochem.Biophys.Res.Commun., 396, 2010
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1Y80
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![BU of 1y80 by Molmil](/molmil-images/mine/1y80) | Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica | Descriptor: | CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE, Predicted cobalamin binding protein, UNKNOWN ATOM OR ION | Authors: | Liu, Z.-J, Fu, Z.-Q, Tempel, W, Das, A, Habel, J, Zhou, W, Chang, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Ljungdahl, L, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-10 | Release date: | 2005-01-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica To be published
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8OR1
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![BU of 8or1 by Molmil](/molmil-images/mine/8or1) | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | Descriptor: | 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1 | Authors: | Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W. | Deposit date: | 2023-04-12 | Release date: | 2023-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors. J.Med.Chem., 66, 2023
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7A8P
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![BU of 7a8p by Molmil](/molmil-images/mine/7a8p) | Structure of human mitochondrial RNA polymerase in complex with IMT inhibitor. | Descriptor: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid, DNA-directed RNA polymerase, mitochondrial | Authors: | Hillen, H.S, Bonekamp, N, Peter, B, Felser, A, Bergbrede, T, Choidas, A, Horn, M, Unger, A, di Lucrezia, R, Atanassov, I, Li, X, Koch, U, Menninger, S, Boros, J, Habenberger, P, Giavalisco, P, Cramer, P, Denzel, M, Nussbaumer, P, Klebl, B, Falkenberg, M, Gustafsson, C.M, Larsson, N.G. | Deposit date: | 2020-08-30 | Release date: | 2020-12-30 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Small-molecule inhibitors of human mitochondrial DNA transcription. Nature, 588, 2020
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4XWH
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![BU of 4xwh by Molmil](/molmil-images/mine/4xwh) | Crystal structure of the human N-acetyl-alpha-glucosaminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylglucosaminidase, ... | Authors: | Birrane, G, Meiyappan, M, Dassier, A. | Deposit date: | 2015-01-28 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural characterization of the alpha-N-acetylglucosaminidase, a key enzyme in the pathogenesis of Sanfilippo syndrome B. J.Struct.Biol., 205, 2019
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6EKA
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![BU of 6eka by Molmil](/molmil-images/mine/6eka) | Solid-state MAS NMR structure of the HELLF prion amyloid fibrils | Descriptor: | Podospora anserina S mat+ genomic DNA chromosome 3, supercontig 2 | Authors: | Martinez, D, Daskalov, A, Andreas, L, Bardiaux, B, Coustou, V, Stanek, J, Berbon, M, Noubhani, M, Kauffmann, B, Wall, J.S, Pintacuda, G, Saupe, S.J, Habenstein, B, Loquet, A. | Deposit date: | 2017-09-25 | Release date: | 2018-10-10 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Structural and molecular basis of cross-seeding barriers in amyloids Proc.Natl.Acad.Sci.USA, 118, 2021
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7L7H
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![BU of 7l7h by Molmil](/molmil-images/mine/7l7h) | Alpha-synuclein fibrils | Descriptor: | Alpha-synuclein | Authors: | Hojjatian, A, Dasari, A. | Deposit date: | 2020-12-28 | Release date: | 2022-01-12 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Distinct cryo-EM Structure of Alpha-synuclein Filaments derived by Tau To Be Published
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5SVW
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![BU of 5svw by Molmil](/molmil-images/mine/5svw) | |
5SVU
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![BU of 5svu by Molmil](/molmil-images/mine/5svu) | |
5SVG
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![BU of 5svg by Molmil](/molmil-images/mine/5svg) | |
5SVV
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![BU of 5svv by Molmil](/molmil-images/mine/5svv) | |