6WTO
 
 | | Human JAK2 JH1 domain in complex with Baricitinib | | Descriptor: | 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2 | | Authors: | Yu, S, Nithianantham, S, Fischer, M. | | Deposit date: | 2020-05-03 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
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7NOW
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4OYZ
 | | Human solAC Complexed with Bicarbonate | | Descriptor: | Adenylate cyclase type 10, BICARBONATE ION, GLYCEROL | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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5H8L
 | | Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant in complex with putrescine | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z. | | Deposit date: | 2015-12-23 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
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5H6K
 | | DNA targeting ADP-ribosyltransferase Pierisin-1 | | Descriptor: | 1,2-ETHANEDIOL, Pierisin-1 | | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | | Deposit date: | 2016-11-14 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
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5H8J
 | | Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with cadaverine | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z. | | Deposit date: | 2015-12-23 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
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1M4J
 | | CRYSTAL STRUCTURE OF THE N-TERMINAL ADF-H DOMAIN OF MOUSE TWINFILIN ISOFORM-1 | | Descriptor: | A6 gene product | | Authors: | Paavilainen, V.O, Merckel, M.C, Falck, S, Ojala, P.J, Pohl, E, Wilmanns, M, Lappalainen, P. | | Deposit date: | 2002-07-03 | | Release date: | 2002-11-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Conservation Between the Actin Monomer-binding Sites of Twinfilin and Actin-depolymerizing Factor (ADF)/Cofilin
J.Biol.Chem., 277, 2002
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7CJI
 | | Photosystem II structure in the S1 state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Shen, J.-R, Suga, M. | | Deposit date: | 2020-07-11 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
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7CJJ
 | | Photosystem II structure in the S2 state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Shen, J.-R, Suga, M. | | Deposit date: | 2020-07-11 | | Release date: | 2021-04-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
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6R1R
 | | RIBONUCLEOTIDE REDUCTASE E441D MUTANT R1 PROTEIN FROM ESCHERICHIA COLI | | Descriptor: | RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN | | Authors: | Eriksson, M, Eklund, H. | | Deposit date: | 1997-09-17 | | Release date: | 1998-03-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A new mechanism-based radical intermediate in a mutant R1 protein affecting the catalytically essential Glu441 in Escherichia coli ribonucleotide reductase.
J.Biol.Chem., 272, 1997
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7COU
 | | Structure of cyanobacterial photosystem II in the dark S1 state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Shen, J.-R, Suga, M. | | Deposit date: | 2020-08-05 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Capturing structural changes of the S 1 to S 2 transition of photosystem II using time-resolved serial femtosecond crystallography.
Iucrj, 8, 2021
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4OT7
 | | X-structure of a variant of NCR from zymomonas mobilis | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase | | Authors: | Genz, M, Strater, N. | | Deposit date: | 2014-02-13 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Surface Loops Representing Enzyme Modifying Element in the Field of Tuning Enzyme Properties
TO BE PUBLISHED
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3LAQ
 | | Structure-based engineering of species selectivity in the uPA-uPAR interaction | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator | | Authors: | Huang, M. | | Deposit date: | 2010-01-06 | | Release date: | 2010-02-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-based engineering of species selectivity in the interaction between urokinase and its receptor: implication for preclinical cancer therapy.
J.Biol.Chem., 285, 2010
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7CE4
 | | Tankyrase2 catalytic domain in complex with K-476 | | Descriptor: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ... | | Authors: | Takahashi, Y, Suzuki, M, Saito, J. | | Deposit date: | 2020-06-22 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors.
Am J Cancer Res, 11, 2021
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5HNG
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-18 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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4OXC
 | | Crystal structure of XIAP BIR1 domain | | Descriptor: | E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Milani, M, Cossu, F, Mastrangelo, E. | | Deposit date: | 2014-02-05 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | NF023 binding to XIAP-BIR1: Searching drugs for regulation of the NF-kappa B pathway.
Proteins, 83, 2015
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4ZD6
 | | Halohydrin hydrogen-halide-lyase, HheB | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Halohydrin epoxidase B, ... | | Authors: | Watanabe, F, Yu, F, Ohtaki, A, Yamanaka, Y, Noguchi, K, Yohda, M, Odaka, M. | | Deposit date: | 2015-04-17 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of halohydrin hydrogen-halide-lyases from Corynebacterium sp. N-1074
Proteins, 83, 2015
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7RUU
 | | Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to adenosylcobalamin | | Descriptor: | 5'-DEOXYADENOSINE, ACETATE ION, COBALAMIN, ... | | Authors: | Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R. | | Deposit date: | 2021-08-18 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
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7RUT
 | | Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Corrinoid adenosyltransferase, GLYCEROL, ... | | Authors: | Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R. | | Deposit date: | 2021-08-18 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
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5HGQ
 | | Loa loa Lysyl-tRNA synthetase in complex with Cladosporin. | | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase, ... | | Authors: | Sharma, A, Sharma, M, Yogavel, M, Sharma, A. | | Deposit date: | 2016-01-08 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.283 Å) | | Cite: | Protein Translation Enzyme lysyl-tRNA Synthetase Presents a New Target for Drug Development against Causative Agents of Loiasis and Schistosomiasis
PLoS Negl Trop Dis, 10, 2016
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7RUV
 | | Structure of Human ATP:Cobalamin Adenosyltransferase E193K bound to adenosylcobalamin | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ... | | Authors: | Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R. | | Deposit date: | 2021-08-18 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
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8ORF
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8ORG
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8ORE
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8OPI
 | | VHH Z70 mutant 1 in interaction with PHF6 Tau peptide | | Descriptor: | PHF6 Tau peptide, VHH Z70 mutant 1 | | Authors: | Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I. | | Deposit date: | 2023-04-07 | | Release date: | 2023-05-31 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein.
J.Biol.Chem., 300, 2024
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