6PJM
 
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-35 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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5GR5
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5GQX
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6X0O
 | | Single-Particle Cryo-EM Structure of Arabinosyltransferase EmbB from Mycobacterium smegmatis | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB | | Authors: | Tan, Y.Z, Rodrigues, J, Keener, J.E, Zheng, R.B, Brunton, R, Kloss, B, Giacometti, S.I, Rosario, A.L, Zhang, L, Niederweis, M, Clarke, O.B, Lowary, T.L, Marty, M.T, Archer, M, Potter, C.S, Carragher, B, Mancia, F. | | Deposit date: | 2020-05-17 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of arabinosyltransferase EmbB from Mycobacterium smegmatis.
Nat Commun, 11, 2020
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6PLJ
 | | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Carbone, V, Schofield, L, Sutherland-Smith, A, Ronimus, R. | | Deposit date: | 2019-07-01 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528)
To Be Published
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6C6U
 | | CryoEM structure of E.coli RNA polymerase elongation complex bound with NusG | | Descriptor: | DNA (29-MER), DNA-DIRECTED RNA POLYMERASE BETA', DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Kang, J.Y, Artsimovitch, I, Landick, R, Darst, S.A. | | Deposit date: | 2018-01-19 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural Basis for Transcript Elongation Control by NusG Family Universal Regulators.
Cell, 173, 2018
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6CA1
 | | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol | | Descriptor: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, GLYCEROL, Glycosyl hydrolase, ... | | Authors: | Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Macromolecular Research (MCMR) | | Deposit date: | 2018-01-29 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol
To Be Published
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5GNV
 | | Structure of PSD-95/MAP1A complex reveals unique target recognition mode of MAGUK GK domain | | Descriptor: | Disks large homolog 4, Microtubule-associated protein 1A, SULFATE ION | | Authors: | Shang, Y, Xia, Y, Zhu, R, Zhu, J. | | Deposit date: | 2016-07-25 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Structure of the PSD-95/MAP1A complex reveals a unique target recognition mode of the MAGUK GK domain
Biochem. J., 474, 2017
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6PPB
 | | Kaposi's sarcoma-associated herpesvirus (KSHV), C5 portal vertex structure | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H. | | Deposit date: | 2019-07-06 | | Release date: | 2019-09-11 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
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5GQW
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2WGH
 | | Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg. | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P. | | Deposit date: | 2009-04-19 | | Release date: | 2009-05-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
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6C9D
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6Y2F
 | | Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | Zhang, L, Lin, D, Sun, X, Hilgenfeld, R. | | Deposit date: | 2020-02-15 | | Release date: | 2020-03-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
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6BQT
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6Y3C
 | | Human COX-1 Crystal Structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Prostaglandin G/H synthase 1, ... | | Authors: | Miciaccia, M, Belviso, B.D, Iaselli, M, Ferorelli, S, Perrone, M.G, Caliandro, R, Scilimati, A. | | Deposit date: | 2020-02-18 | | Release date: | 2020-02-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.361 Å) | | Cite: | Three-dimensional structure of human cyclooxygenase (hCOX)-1.
Sci Rep, 11, 2021
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6Y4C
 | | Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support | | Descriptor: | CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T. | | Deposit date: | 2020-02-20 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
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6QYS
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B | | Descriptor: | DBB-PRO-GLY-CYS-LYS | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-03-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6PPL
 | | Cryo-EM structure of human NatE complex (NatA/Naa50) | | Descriptor: | ACETYL COENZYME *A, INOSITOL HEXAKISPHOSPHATE, N-alpha-acetyltransferase 10, ... | | Authors: | Deng, S, Marmorstein, R. | | Deposit date: | 2019-07-08 | | Release date: | 2020-02-19 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Molecular basis for N-terminal acetylation by human NatE and its modulation by HYPK.
Nat Commun, 11, 2020
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6PJG
 | | HIV-1 Protease NL4-3 WT in Complex with LR3-97 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3 | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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6Y9E
 | | Crystal structure of putative ancestral haloalkane dehalogenase AncHLD2 (node 2) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Chaloupkova, R, Damborsky, J, Marek, M. | | Deposit date: | 2020-03-09 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of hyperstable ancestral haloalkane dehalogenases show restricted conformational dynamics.
Comput Struct Biotechnol J, 18, 2020
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6Y7C
 | | Early cytoplasmic yeast pre-40S particle (purified with Tsr1 as bait) | | Descriptor: | 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | | Authors: | Shayan, R, Plassart, L, Plisson-Chastang, C. | | Deposit date: | 2020-02-28 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Good Vibrations: Structural Remodeling of Maturing Yeast Pre-40S Ribosomal Particles Followed by Cryo-Electron Microscopy.
Molecules, 25, 2020
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3E29
 | | X-Ray structure of the protein Q7WE92_BORBR from thioesterase superfamily. Northeast Structural Genomics Consortium Target BoR214A. | | Descriptor: | uncharacterized protein Q7WE92_BORBR | | Authors: | Kuzin, A.P, Chen, Y, Setharaman, J, Wang, D, Mao, L, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-08-05 | | Release date: | 2008-09-30 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-Ray structure of the protein Q7WE92_BORBR from thioesterase superfamily. Northeast Structural Genomics Consortium Target BoR214A.
To be Published
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5GQD
 | | Crystal structure of covalent glycosyl-enzyme intermediate of xylanase mutant (T82A, N127S, and E128H) from Streptomyces olivaceoviridis E-86 | | Descriptor: | Beta-xylanase, GLYCEROL, beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | | Authors: | Suzuki, R, Fujimoto, Z, Kaneko, S, Kuno, A. | | Deposit date: | 2016-08-07 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Azidolysis by the Formation of Stable Ser-His Catalytic Dyad in a Glycoside Hydrolase Family 10 Xylanase Mutant
J.Appl.Glyosci., 65, 2019
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6P9N
 | | CRYSTAL STRUCTURE OF HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH (S)-MCG-IV-210. | | Descriptor: | (3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Tolbert, W.D, Sherburn, R, Pazgier, M. | | Deposit date: | 2019-06-10 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity.
J.Virol., 93, 2019
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5GQZ
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