5OBJ
 
 | | Aurora A kinase in complex with 2-(3-fluorophenyl)quinoline-4-carboxylic acid and ATP | | Descriptor: | 2-(3-fluorophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | Authors: | Rossmann, M, Janecek, M, Hyvonen, M. | | Deposit date: | 2017-06-28 | | Release date: | 2017-08-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase-TPX2 protein-protein interaction.
Chem. Commun. (Camb.), 53, 2017
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1RS6
 | | Rat neuronal NOS heme domain with D-lysine-D-nitroarginine amide bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | | Authors: | Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2003-12-09 | | Release date: | 2004-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the Neuronal and Endothelial Nitric Oxide Synthase Heme Domain with d-Nitroarginine-Containing Dipeptide Inhibitors Bound.
Biochemistry, 43, 2004
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7T4D
 | | Pore structure of pore-forming toxin Epx4 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Epx4 | | Authors: | Xiong, X.Z, Dong, M, Yang, P, Abraham, J. | | Deposit date: | 2021-12-09 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Emerging enterococcus pore-forming toxins with MHC/HLA-I as receptors.
Cell, 185, 2022
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6F4F
 | | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with glutathionyl-S-dinitrobenzene | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLUTATHIONE S-(2,4 DINITROBENZENE), ... | | Authors: | Schwartz, M, Favier, F, Didierjean, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Sci Rep, 8, 2018
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1JDZ
 | | CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE WITH FORMYCIN B AND SULFATE ION | | Descriptor: | 5'-METHYLTHIOADENOSINE PHOSPHORYLASE, FORMYCIN B, SULFATE ION | | Authors: | Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | | Deposit date: | 2001-06-15 | | Release date: | 2001-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
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6IX5
 | | The structure of LepI complex with SAM and its substrate analogue | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ... | | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | | Deposit date: | 2018-12-09 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
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4LYM
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7EGO
 | | X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe HA527 | | Descriptor: | 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid, Fatty acid-binding protein, heart, ... | | Authors: | Takabayashi, M, Yokota, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Sugiyama, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe HA527
To Be Published
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6PF7
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)benzoic acid | | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.795 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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7STB
 | | Closed state of Rad24-RFC:9-1-1 bound to a 5' ss/dsDNA junction | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DNA (5'-D(P*CP*GP*CP*TP*CP*CP*TP*TP*CP*CP*TP*GP*AP*CP*TP*CP*GP*TP*CP*C)-3'), ... | | Authors: | Castaneda, J.C, Schrecker, M, Remus, D, Hite, R.K. | | Deposit date: | 2021-11-12 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Mechanisms of loading and release of the 9-1-1 checkpoint clamp.
Nat.Struct.Mol.Biol., 29, 2022
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6F17
 | | Structure of Mb NMH H64V, V68A mutant resting state | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | | Deposit date: | 2017-11-21 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
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1WYX
 | | The Crystal Structure of the p130Cas SH3 Domain at 1.1 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, CRK-associated substrate, MAGNESIUM ION | | Authors: | Wisniewska, M, Bossenmaier, B, Georges, G, Hesse, F, Dangl, M, Kuenkele, K.P, Ioannidis, I, Huber, R, Engh, R.A. | | Deposit date: | 2005-02-17 | | Release date: | 2005-04-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | The 1.1 A resolution crystal structure of the p130cas SH3 domain and ramifications for ligand selectivity
J.Mol.Biol., 347, 2005
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7T4Q
 | | CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with neutralizing fabs 2C12, 7I13 and 13H11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ... | | Authors: | Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C. | | Deposit date: | 2021-12-10 | | Release date: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for HCMV Pentamer receptor recognition and antibody neutralization.
Sci Adv, 8, 2022
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6F19
 | | Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 5 min | | Descriptor: | ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | | Deposit date: | 2017-11-21 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
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1WZZ
 | | Structure of endo-beta-1,4-glucanase CMCax from Acetobacter xylinum | | Descriptor: | Probable endoglucanase, SULFATE ION | | Authors: | Yasutake, Y, Kawano, S, Tajima, K, Yao, M, Satoh, Y, Munekata, M, Tanaka, I, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-03-10 | | Release date: | 2006-03-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural characterization of the Acetobacter xylinum endo-beta-1,4-glucanase CMCax required for cellulose biosynthesis.
Proteins, 64, 2006
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7T4S
 | | CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with NRP2 and neutralizing fabs 8I21 and 13H11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein H, ... | | Authors: | Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C. | | Deposit date: | 2021-12-10 | | Release date: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for HCMV Pentamer receptor recognition and antibody neutralization.
Sci Adv, 8, 2022
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7T4R
 | | CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with THBD and neutralizing fabs MSL-109 and 13H11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ... | | Authors: | Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C. | | Deposit date: | 2021-12-10 | | Release date: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for HCMV Pentamer receptor recognition and antibody neutralization.
Sci Adv, 8, 2022
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1X0F
 | | Complex structure of the C-terminal RNA-binding domain of hnRNP D(AUF1) with telomeric DNA | | Descriptor: | 5'-D(P*TP*AP*GP*G)-3', Heterogeneous nuclear ribonucleoprotein D0 | | Authors: | Enokizono, Y, Konishi, Y, Nagata, K, Ouhashi, K, Uesugi, S, Ishikawa, F, Katahira, M. | | Deposit date: | 2005-03-22 | | Release date: | 2005-04-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of hnRNP D complexed with single-stranded telomere DNA and unfolding of the quadruplex by heterogeneous nuclear ribonucleoprotein D.
J.Biol.Chem., 280, 2005
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6PJI
 | | HIV-1 Protease NL4-3 WT in Complex with LR3-43 | | Descriptor: | Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | 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 (1.9 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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7ST9
 | | Open state of Rad24-RFC:9-1-1 bound to a 5' ss/dsDNA junction | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DNA (5'-D(P*CP*GP*CP*TP*CP*CP*TP*TP*CP*CP*TP*GP*AP*CP*TP*CP*GP*TP*CP*C)-3'), ... | | Authors: | Castaneda, J.C, Schrecker, M, Remus, D, Hite, R.K. | | Deposit date: | 2021-11-12 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Mechanisms of loading and release of the 9-1-1 checkpoint clamp.
Nat.Struct.Mol.Biol., 29, 2022
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1X22
 | | Solution structure of a novel moricin analogue, an antibacterial peptide from a lepidopteran insect, Spodoptera litura | | Descriptor: | moricin | | Authors: | Oizumi, Y, Hemmi, H, Minami, M, Asaoka, A, Yamakawa, M. | | Deposit date: | 2005-04-18 | | Release date: | 2005-09-06 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Isolation, gene expression and solution structure of a novel moricin analogue, antibacterial peptide from a lepidopteran insect, Spodoptera litura
Biochim.Biophys.Acta, 1752, 2005
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6IZO
 | | Crystal structure of DNA polymerase sliding clamp from Caulobacter crescentus | | Descriptor: | 1,2-ETHANEDIOL, Beta sliding clamp, DI(HYDROXYETHYL)ETHER | | Authors: | Jiang, X, Zhang, L, Teng, M, Li, X. | | Deposit date: | 2018-12-20 | | Release date: | 2019-11-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Caulobacter crescentus beta sliding clamp employs a noncanonical regulatory model of DNA replication.
Febs J., 287, 2020
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2LYP
 | | NOE-based 3D structure of the monomer of CylR2 in equilibrium with predissociated homodimer at 266K (-7 Celsius degrees) | | Descriptor: | CylR2 | | Authors: | Jaremko, M, Jaremko, L, Kim, H, Cho, M, Schwieters, C.D, Giller, K, Becker, S, Zweckstetter, M. | | Deposit date: | 2012-09-19 | | Release date: | 2013-02-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Cold denaturation of a protein dimer monitored at atomic resolution.
Nat.Chem.Biol., 9, 2013
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1X2Q
 | | Solution structure of the SH3 domain of the Signal transducing adaptor molecule 2 | | Descriptor: | Signal transducing adapter molecule 2 | | Authors: | Chikayama, E, Kigawa, T, Sato, M, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-04-26 | | Release date: | 2005-10-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SH3 domain of the Signal transducing adaptor molecule 2
To be Published
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6MFI
 | | MIM-2 Metallo-Beta-Lactamase | | Descriptor: | Metallo-beta-lactamase, ZINC ION | | Authors: | Selleck, C, Guddat, L, Schenk, G, Monteiro Pedroso, M. | | Deposit date: | 2018-09-11 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | characterization of the B3 MBLs MIM-1 and MIM-2 from environmental microorganisms.
Chemistry, 23, 2017
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