4OW3
 
 | | Thermolysin structure determined by free-electron laser | | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | | Authors: | Hattne, J, Echols, N, Tran, R, Kern, J, Gildea, R.J, Brewster, A.S, Alonso-Mori, R, Glockner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, White, W.E, Schafer, D.W, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Glatzel, P, Zwart, P.H, Grosse-Kunstleve, R.W, Bogan, M.J, Messerschmidt, M, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Yano, J, Bergmann, U, Yachandra, V.K, Adams, P.D, Sauter, N.K. | | Deposit date: | 2014-01-30 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers.
Nat.Methods, 11, 2014
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8AH3
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456D
 | | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATCCGCG): THE WATSON-CRICK TYPE N6-METHOXYADENOSINE/CYTIDINE BASE-PAIRS IN B-DNA | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(A47)P*AP*TP*CP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Chatake, T, Ono, A, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 1999-03-06 | | Release date: | 2000-01-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic studies on damaged DNAs. I. An N(6)-methoxyadenine residue forms a Watson-Crick pair with a cytosine residue in a B-DNA duplex.
J.Mol.Biol., 294, 1999
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5AQ8
 | | DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, OFF7_DB12V4, THIOCYANATE ION | | Authors: | Batyuk, A, Wu, Y, Honegger, A, Heberling, M, Plueckthun, A. | | Deposit date: | 2015-09-21 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Darpin-Based Crystallization Chaperones Exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
J.Mol.Biol., 428, 2016
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7VVL
 | | PTH-bound human PTH1R in complex with Gs (class2) | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | | Deposit date: | 2021-11-06 | | Release date: | 2022-08-03 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
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7BGS
 | | Archeal holliday junction resolvase from Thermus thermophilus phage 15-6 | | Descriptor: | Holliday junction resolvase, SULFATE ION | | Authors: | Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S. | | Deposit date: | 2021-01-08 | | Release date: | 2022-01-19 | | Last modified: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6.
Acta Crystallogr D Struct Biol, 78, 2022
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7BET
 | | Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane | | Descriptor: | FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta | | Authors: | Aurelius, O, John, J, Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Hogbom, M, Wang, M, Pedrini, B. | | Deposit date: | 2020-12-24 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
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7BNX
 | | Archeal holliday junction resolvase from Thermus thermophilus phage 15-6 | | Descriptor: | Holliday junction resolvase, SULFATE ION | | Authors: | Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S. | | Deposit date: | 2021-01-22 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6.
Acta Crystallogr D Struct Biol, 78, 2022
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4IZY
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1BCD
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5A2G
 | | An esterase from anaerobic Clostridium hathewayi can hydrolyze aliphatic aromatic polyesters | | Descriptor: | CARBOXYLIC ESTER HYDROLASE, PHOSPHATE ION | | Authors: | Hromic, A, Pavkov Keller, T, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Zankel, A, Mayrhofer, C, Sinkel, C, Kueper, U, Schlegel, K.A, Ribitsch, D, Guebitz, G.M. | | Deposit date: | 2015-05-19 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | An Esterase from Anaerobic Clostridium Hathewayi Can Hydrolyze Aliphatic-Aromatic Polyesters.
Environ.Sci.Tech., 50, 2016
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5AB8
 | | High resolution X-ray structure of the N-terminal truncated form (residues 1-11) of Mycobacterium tuberculosis HbN | | Descriptor: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Pesce, A, Bustamante, J.P, Bidon-Chanal, A, Boechi, L, Estrin, D.A, Luque, F.J, Sebilo, A, Guertin, M, Bolognesi, M, Ascenzi, P, Nardini, M. | | Deposit date: | 2015-08-04 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | The N-Terminal Pre-A Region of Mycobacterium Tuberculosis 2/2Hbn Promotes No-Dioxygenase Activity.
FEBS J., 283, 2016
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9AZI
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7LTJ
 | | Room-temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with a non-covalent inhibitor Mcule-5948770040 | | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2021-02-19 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
J.Chem.Inf.Model., 62, 2022
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4IX1
 | | Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205 | | Descriptor: | PHOSPHATE ION, hypothetical protein | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-01-24 | | Release date: | 2013-02-06 | | Last modified: | 2013-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205
To be Published
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5ALC
 | | Ticagrelor antidote candidate Fab 72 in complex with ticagrelor | | Descriptor: | ANTI-TICAGRELOR FAB 72, HEAVY CHAIN, LIGHT CHAIN, ... | | Authors: | Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S. | | Deposit date: | 2015-03-07 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Characterisation of a Specific Antidote for Ticagrelor.
Blood, 125, 2015
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2VQ5
 | | X-ray structure of Norcoclaurine synthase from Thalictrum flavum in complex with dopamine and hydroxybenzaldehyde | | Descriptor: | ACETATE ION, CHLORIDE ION, L-DOPAMINE, ... | | Authors: | Ilari, A, Franceschini, S, Bonamore, A, Boffi, A. | | Deposit date: | 2008-03-11 | | Release date: | 2008-08-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis.
J.Biol.Chem., 284, 2009
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4LZA
 | | Crystal structure of adenine phosphoribosyltransferase from Thermoanaerobacter pseudethanolicus ATCC 33223, NYSGRC Target 029700. | | Descriptor: | Adenine phosphoribosyltransferase, CHLORIDE ION | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-07-31 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structure of adenine phosphoribosyltransferase from Thermoanaerobacter pseudethanolicus ATCC 33223, NYSGRC Target 029700.
To be Published
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7X5F
 | | Nrf2-MafG heterodimer bound with CsMBE2 | | Descriptor: | Nuclear factor erythroid 2-related factor 2, Synthetic DNA, Transcription factor MafG | | Authors: | Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. | | Deposit date: | 2022-03-04 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
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2W2P
 | | PCSK9-deltaC D374A mutant bound to WT EGF-A of LDLR | | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | | Deposit date: | 2008-11-03 | | Release date: | 2008-11-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants.
J.Biol.Chem., 284, 2009
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7F5Y
 | | Crystal structure of the single-stranded dna-binding protein from Mycobacterium tuberculosis- Form III | | Descriptor: | FORMIC ACID, Single-stranded DNA-binding protein | | Authors: | Srikalaivani, R, Paul, A, Sriram, R, Narayanan, S, Gopal, B, Vijayan, M. | | Deposit date: | 2021-06-23 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural variability of Mycobacterium tuberculosis SSB and susceptibility to inhibition.
Curr.Sci., 122, 2022
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5CHA
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9EO2
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7F5Z
 | | Crystal structure of the single-stranded dna-binding protein from Mycobacterium tuberculosis- Form III | | Descriptor: | Single-stranded DNA-binding protein | | Authors: | Srikalaivani, R, Paul, A, Sriram, R, Narayanan, S, Gopal, B, Vijayan, M. | | Deposit date: | 2021-06-23 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural variability of Mycobacterium tuberculosis SSB and susceptibility to inhibition.
Curr.Sci., 122, 2022
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7XAR
 | | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | | Descriptor: | 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | Authors: | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | | Deposit date: | 2022-03-18 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
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