6WTO
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![BU of 6wto by Molmil](/molmil-images/mine/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
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![BU of 4oyz by Molmil](/molmil-images/mine/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
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![BU of 5h8l by Molmil](/molmil-images/mine/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
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![BU of 5h6k by Molmil](/molmil-images/mine/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
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![BU of 5h8j by Molmil](/molmil-images/mine/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
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![BU of 1m4j by Molmil](/molmil-images/mine/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
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![BU of 7cji by Molmil](/molmil-images/mine/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
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![BU of 7cjj by Molmil](/molmil-images/mine/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
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![BU of 6r1r by Molmil](/molmil-images/mine/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
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![BU of 7cou by Molmil](/molmil-images/mine/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
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![BU of 4ot7 by Molmil](/molmil-images/mine/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
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![BU of 3laq by Molmil](/molmil-images/mine/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
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![BU of 7ce4 by Molmil](/molmil-images/mine/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
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![BU of 5hng by Molmil](/molmil-images/mine/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
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![BU of 4oxc by Molmil](/molmil-images/mine/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
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![BU of 4zd6 by Molmil](/molmil-images/mine/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
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![BU of 7ruu by Molmil](/molmil-images/mine/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
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![BU of 7rut by Molmil](/molmil-images/mine/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
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![BU of 5hgq by Molmil](/molmil-images/mine/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
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![BU of 7ruv by Molmil](/molmil-images/mine/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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![BU of 8org by Molmil](/molmil-images/mine/8org) | |
8ORE
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8OPI
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![BU of 8opi by Molmil](/molmil-images/mine/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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