8FDM
 
 | | Human Hemoglobin in Complex with Nitrosomethane | | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
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5JFD
 | | Thrombin in complex with (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-D-arginyl)pyrrolidine-2-carboxamide | | Descriptor: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Sandner, A, Heine, A, Klebe, G. | | Deposit date: | 2016-04-19 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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8H5A
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8H58
 | | Crystal structure of YhaJ effector binding domain | | Descriptor: | HTH-type transcriptional regulator YhaJ, SODIUM ION | | Authors: | Kim, M, Ryu, S.E. | | Deposit date: | 2022-10-12 | | Release date: | 2023-10-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.639 Å) | | Cite: | Structural basis of transcription factor YhaJ for DNT detection.
Iscience, 26, 2023
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6H8J
 | | 1.45 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPTO | | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | | Deposit date: | 2018-08-02 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Insights into Urease Inhibition by N-( n-Butyl) Phosphoric Triamide through an Integrated Structural and Kinetic Approach.
J.Agric.Food Chem., 67, 2019
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8FDK
 | | Phenylhydroxylamine in Reaction with Human Hemoglobin | | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Powell, S.M, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2022-12-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
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8FDN
 | | Human Hemoglobin with N-tertbutylhydroxylamine | | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
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1D7S
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF 2,2-DIALKYLGLYCINE DECARBOXYLASE WITH DCS | | Descriptor: | D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, POTASSIUM ION, PROTEIN (2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE)), ... | | Authors: | Malashkevich, V.N, Toney, M.D, Strop, P, Keller, J, Jansonius, J.N. | | Deposit date: | 1999-10-19 | | Release date: | 1999-11-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of dialkylglycine decarboxylase inhibitor complexes.
J.Mol.Biol., 294, 1999
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2BSA
 | | Ferredoxin-Nadp Reductase (Mutation: Y 303 S) complexed with NADP | | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Maya, C.M, Hermoso, J.A, Perez-Dorado, I, Tejero, J, Julvez, M.M, Gomez-Moreno, C, Medina, M. | | Deposit date: | 2005-05-20 | | Release date: | 2005-10-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H.
Biochemistry, 44, 2005
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1D7U
 | | Crystal structure of the complex of 2,2-dialkylglycine decarboxylase with LCS | | Descriptor: | POTASSIUM ION, PROTEIN (2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE)), SODIUM ION, ... | | Authors: | Malashkevich, V.N, Toney, M.D, Strop, P, Keller, J, Jansonius, J.N. | | Deposit date: | 1999-10-19 | | Release date: | 1999-11-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of dialkylglycine decarboxylase inhibitor complexes.
J.Mol.Biol., 294, 1999
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8FDL
 | | Human Hemoglobin with Nitrosochloramphenicol | | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
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4ZFL
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5J4X
 | | Structure of tetrameric jacalin complexed with Gal beta-(1,3) Gal-beta-OMe | | Descriptor: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | | Deposit date: | 2016-04-01 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with beta-substituted disaccharides.
IUBMB Life, 69, 2017
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8GOD
 | | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | | Descriptor: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | | Deposit date: | 2022-08-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
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4ZGZ
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5KF7
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8I2E
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8I2D
 | | Crystal structure of Bacillus subtilis LytE | | Descriptor: | Probable peptidoglycan endopeptidase LytE | | Authors: | Tandukar, S, Kwon, E, Kim, D.Y. | | Deposit date: | 2023-01-14 | | Release date: | 2023-04-19 | | Last modified: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural insights into the regulation of peptidoglycan DL-endopeptidases by inhibitory protein IseA.
Structure, 31, 2023
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8I2F
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2XG6
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2XJ9
 | | Dimer Structure of the bacterial cell division regulator MipZ | | Descriptor: | MAGNESIUM ION, MIPZ, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Michie, K.A, Lowe, J. | | Deposit date: | 2010-07-02 | | Release date: | 2011-07-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Localized Dimerization and Nucleoid Binding Drive Gradient Formation by the Bacterial Cell Division Inhibitor Mipz.
Mol.Cell, 46, 2012
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8IM8
 | | Crystal structure of Periplasmic alpha-amylase (MalS) from E.coli | | Descriptor: | CALCIUM ION, Periplasmic alpha-amylase | | Authors: | An, Y, Park, J.T, Park, K.H, Woo, E.J. | | Deposit date: | 2023-03-06 | | Release date: | 2023-05-24 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Distinctive Permutated Domain Structure of Periplasmic alpha-Amylase (MalS) from Glycoside Hydrolase Family 13 Subfamily 19.
Molecules, 28, 2023
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6H9C
 | | Cryo-EM structure of archaeal extremophilic internal membrane-containing Haloarcula californiae icosahedral virus 1 (HCIV-1) at 3.74 Angstroms resolution. | | Descriptor: | (Half) GPS-II protein located underneath the two-tower capsomer sitting ON the icosahedral 2-fold axis., GPS-II protein located underneath the two-tower capsomer NOT sitting on the icosahedral 2-fold axis., GPS-III molecule located underneath the capsomer close to the icosahedral three-fold axis., ... | | Authors: | Abrescia, N.G, Santos-Perez, I, Charro, D. | | Deposit date: | 2018-08-03 | | Release date: | 2019-03-27 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Structural basis for assembly of vertical single beta-barrel viruses.
Nat Commun, 10, 2019
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6H7Z
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1 | | Descriptor: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Motlova, L, Novakova, Z, Barinka, C. | | Deposit date: | 2018-07-31 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
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6HK2
 | | Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO) | | Descriptor: | 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Boffi, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Biodistribution PET/CT Study of Hemoglobin-DFO-89Zr Complex in Healthy and Lung Tumor-Bearing Mice.
Int J Mol Sci, 21, 2020
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