1EEO
 
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2 | | Descriptor: | ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2 PEPTIDE, MAGNESIUM ION, PROTEIN TYROSINE PHOSPHATASE 1B | | Authors: | Sarmiento, M, Puius, Y.A, Vetter, S.W, Lawrence, D.S, Almo, S.C, Zhang, Z.Y. | | Deposit date: | 2000-02-01 | | Release date: | 2001-02-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of plasticity in protein tyrosine phosphatase 1B substrate recognition.
Biochemistry, 39, 2000
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1EMB
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8P33
 | | BB0238 from Borrelia burgdorferi | | Descriptor: | BB0238 | | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
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8P32
 | | BB0238 from Borrelia burgdorferi, Se-Met data for Leu240Met mutant | | Descriptor: | BB0238 | | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
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8Q34
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | | Authors: | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | | Deposit date: | 2023-08-03 | | Release date: | 2024-02-07 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Mapping protein binding sites by photoreactive fragment pharmacophores.
Commun Chem, 7, 2024
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8RYS
 | | Human IL-1beta, unliganded | | Descriptor: | Interleukin-1 beta, SULFATE ION | | Authors: | Rondeau, J.-M, Lehmann, S. | | Deposit date: | 2024-02-09 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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8RZB
 | | IL-1beta in complex with covalent DEL hit | | Descriptor: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | | Authors: | Rondeau, J.-M, Lehmann, S. | | Deposit date: | 2024-02-12 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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8RYK
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8OUJ
 | | Heterotrimeric Complex of Human ASCT2 with Syncytin-1 | | Descriptor: | ALANINE, Neutral amino acid transporter B(0), Syncytin-1 | | Authors: | Khare, S, Reyes, N. | | Deposit date: | 2023-04-23 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Receptor-recognition and antiviral mechanisms of retrovirus-derived human proteins.
Nat.Struct.Mol.Biol., 2024
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8OUD
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8OUI
 | | Complex of ASCT2 with Suppressyn | | Descriptor: | ALANINE, Neutral amino acid transporter B(0), Suppressyn | | Authors: | Khare, S, Kumar, A, Reyes, N. | | Deposit date: | 2023-04-23 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Receptor-recognition and antiviral mechanisms of retrovirus-derived human proteins.
Nat.Struct.Mol.Biol., 2024
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8OUH
 | | Complex of human ASCT2 with Syncytin-1 | | Descriptor: | ALANINE, Neutral amino acid transporter B(0), Syncytin-1 | | Authors: | Khare, S, Reyes, N. | | Deposit date: | 2023-04-23 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Receptor-recognition and antiviral mechanisms of retrovirus-derived human proteins.
Nat.Struct.Mol.Biol., 2024
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8RLN
 | | Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile, ... | | Authors: | Strater, N, Claff, T, Weisse, R.H, Muller, C.E. | | Deposit date: | 2024-01-03 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural Insights into Partial Activation of the Prototypic G Protein-Coupled Adenosine A 2A Receptor.
Acs Pharmacol Transl Sci, 7, 2024
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8SS1
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8SRZ
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8SJD
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1FFQ
 | | CRYSTAL STRUCTURE OF CHITINASE A COMPLEXED WITH ALLOSAMIDIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE A | | Authors: | Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K. | | Deposit date: | 2000-07-26 | | Release date: | 2003-02-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | De novo purification scheme and crystallization conditions yield high-resolution structures of chitinase A and its complex with the inhibitor allosamidin.
Acta Crystallogr.,Sect.D, 59, 2003
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1FLR
 | | 4-4-20 FAB FRAGMENT | | Descriptor: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 4-4-20 (IG*G2A=KAPPA=) FAB FRAGMENT | | Authors: | Whitlow, M. | | Deposit date: | 1995-01-19 | | Release date: | 1995-09-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85 A structure of anti-fluorescein 4-4-20 Fab.
Protein Eng., 8, 1995
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9LPR
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3LPR
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7PBC
 | | Crystal structure of engineered TCR (796) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | | Authors: | Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J. | | Deposit date: | 2021-08-02 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy.
J Immunother Cancer, 10, 2022
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2LI9
 | | Metal binding domain of rat beta-amyloid | | Descriptor: | Amyloid beta A4 protein, ZINC ION | | Authors: | Polshakov, V, Istrate, A, Kozin, S, Makarov, A. | | Deposit date: | 2011-08-25 | | Release date: | 2012-01-18 | | Last modified: | 2012-03-21 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of rat Abeta(1-16): toward understanding the mechanism of rats' resistance to Alzheimer's disease.
Biophys.J., 102, 2012
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6S4A
 | | Structure of human MTHFD2 in complex with TH9028 | | Descriptor: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6S4F
 | | Structure of human MTHFD2 in complex with TH9619 | | Descriptor: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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6S4E
 | | Structure of human MTHFD2 in complex with TH7299 | | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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