3WNN
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![BU of 3wnn by Molmil](/molmil-images/mine/3wnn) | D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltooctaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase. J.Biol.Chem., 289, 2014
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6PPB
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![BU of 6ppb by Molmil](/molmil-images/mine/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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1G8F
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![BU of 1g8f by Molmil](/molmil-images/mine/1g8f) | ATP SULFURYLASE FROM S. CEREVISIAE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, CADMIUM ION, ... | Authors: | Ullrich, T.C, Blaesse, M, Huber, R. | Deposit date: | 2000-11-17 | Release date: | 2001-05-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of ATP sulfurylase from Saccharomyces cerevisiae, a key enzyme in sulfate activation. EMBO J., 20, 2001
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8E3X
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![BU of 8e3x by Molmil](/molmil-images/mine/8e3x) | Cryo-EM structure of the PAC1R-PACAP27-Gs complex | 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: | Piper, S.J, Danev, R, Sexton, P, Wootten, D. | Deposit date: | 2022-08-17 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Understanding VPAC receptor family peptide binding and selectivity. Nat Commun, 13, 2022
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8E2M
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![BU of 8e2m by Molmil](/molmil-images/mine/8e2m) | Bruton's tyrosine kinase (BTK) with compound 13 | Descriptor: | (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, Tyrosine-protein kinase BTK | Authors: | Alexander, R, Milligan, C.M. | Deposit date: | 2022-08-15 | Release date: | 2022-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 65, 2022
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1GHV
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![BU of 1ghv by Molmil](/molmil-images/mine/1ghv) | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | Descriptor: | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | Deposit date: | 2001-01-22 | Release date: | 2002-01-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J.Mol.Biol., 307, 2001
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1GI9
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![BU of 1gi9 by Molmil](/molmil-images/mine/1gi9) | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | Descriptor: | 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | Deposit date: | 2001-01-22 | Release date: | 2002-01-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J.Mol.Biol., 307, 2001
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4YC3
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![BU of 4yc3 by Molmil](/molmil-images/mine/4yc3) | CDK1/CyclinB1/CKS2 Apo | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | Authors: | Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A. | Deposit date: | 2015-02-19 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK. Nat Commun, 6, 2015
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6PJG
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![BU of 6pjg by Molmil](/molmil-images/mine/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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1G2I
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![BU of 1g2i by Molmil](/molmil-images/mine/1g2i) | CRYSTAL STRUCTURE OF A NOVEL INTRACELLULAR PROTEASE FROM PYROCOCCUS HORIKOSHII AT 2 A RESOLUTION | Descriptor: | PROTEASE I, SULFATE ION | Authors: | Du, X, Choi, I.-G, Kim, R, Jancarik, J, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2000-10-19 | Release date: | 2000-11-08 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of an intracellular protease from Pyrococcus horikoshii at 2-A resolution. Proc.Natl.Acad.Sci.USA, 97, 2000
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4YAY
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![BU of 4yay by Molmil](/molmil-images/mine/4yay) | XFEL structure of human Angiotensin Receptor | Descriptor: | 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor | Authors: | Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2015-02-18 | Release date: | 2015-04-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the Angiotensin receptor revealed by serial femtosecond crystallography. Cell, 161, 2015
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8E3Z
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![BU of 8e3z by Molmil](/molmil-images/mine/8e3z) | Cryo-EM structure of the VPAC1R-VIP-Gs complex | 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: | Piper, S.J, Danev, R, Sexton, P, Wootten, D. | Deposit date: | 2022-08-17 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Understanding VPAC receptor family peptide binding and selectivity. Nat Commun, 13, 2022
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4YEY
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![BU of 4yey by Molmil](/molmil-images/mine/4yey) | HUaa-20bp | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-24 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.354 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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8E3Y
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![BU of 8e3y by Molmil](/molmil-images/mine/8e3y) | Cryo-EM structure of the VPAC1R-PACAP27-Gs complex | 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: | Piper, S.J, Danev, R, Sexton, P, Wootten, D. | Deposit date: | 2022-08-17 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Understanding VPAC receptor family peptide binding and selectivity. Nat Commun, 13, 2022
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4YFH
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![BU of 4yfh by Molmil](/molmil-images/mine/4yfh) | HU38-20bp | Descriptor: | DNA-binding protein HU-alpha, synthetic DNA strand | Authors: | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | Deposit date: | 2015-02-25 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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1BOZ
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![BU of 1boz by Molmil](/molmil-images/mine/1boz) | STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS | Descriptor: | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE) | Authors: | Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W. | Deposit date: | 1998-08-06 | Release date: | 1998-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J.Med.Chem., 41, 1998
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8DQK
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![BU of 8dqk by Molmil](/molmil-images/mine/8dqk) | Intermediate resolution structure of barley (1,3;1,4)-beta-glucan synthase CslF6. | Descriptor: | Cellulose synthase-like CslF6 | Authors: | Ho, R, Purushotham, P, Zimmer, J. | Deposit date: | 2022-07-19 | Release date: | 2022-11-30 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Mechanism of mixed-linkage glucan biosynthesis by barley cellulose synthase-like CslF6 (1,3;1,4)-beta-glucan synthase. Sci Adv, 8, 2022
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1G43
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![BU of 1g43 by Molmil](/molmil-images/mine/1g43) | CRYSTAL STRUCTURE OF A FAMILY IIIA CBD FROM CLOSTRIDIUM CELLULOLYTICUM | Descriptor: | CALCIUM ION, SCAFFOLDING PROTEIN, ZINC ION | Authors: | Shimon, L.J.W, Pages, S, Belaich, A, Belaich, J.-P, Bayer, E.A, Lamed, R, Shoham, Y, Frolow, F. | Deposit date: | 2000-10-26 | Release date: | 2000-12-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a family IIIa scaffoldin CBD from the cellulosome of Clostridium cellulolyticum at 2.2 A resolution. Acta Crystallogr.,Sect.D, 56, 2000
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7QPO
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![BU of 7qpo by Molmil](/molmil-images/mine/7qpo) | |
6PPL
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![BU of 6ppl by Molmil](/molmil-images/mine/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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7Q8I
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![BU of 7q8i by Molmil](/molmil-images/mine/7q8i) | Peptide AVAEKQ in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AVAEKQ peptide, CHLORIDE ION, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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4JMN
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![BU of 4jmn by Molmil](/molmil-images/mine/4jmn) | Crystal structure of LD transpeptidase LdtMt1 from M. tuberculosis | Descriptor: | Probable L,D-transpeptidase LdtA | Authors: | Ruggiero, A, Correale, S, Berisio, R. | Deposit date: | 2013-03-14 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of free and inhibited forms of the L,D-transpeptidase LdtMt1 from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 69, 2013
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6PEA
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![BU of 6pea by Molmil](/molmil-images/mine/6pea) | High Resolution Apo Carbonic Anhydrase II | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2 | Authors: | Andring, J.T, McKenna, R. | Deposit date: | 2019-06-20 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase. Iucrj, 7, 2020
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6P9N
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![BU of 6p9n by Molmil](/molmil-images/mine/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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8SMG
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![BU of 8smg by Molmil](/molmil-images/mine/8smg) | Structure of SPO1 phage Tad2 in complex with 1''-2' gcADPR | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Gp34.65 | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | Deposit date: | 2023-04-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins. Nature, 625, 2024
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