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8FDM
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BU of 8fdm by Molmil
Human Hemoglobin in Complex with Nitrosomethane
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
5JFD
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BU of 5jfd by Molmil
Thrombin in complex with (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-D-arginyl)pyrrolidine-2-carboxamide
分子名称: (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, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2016-04-19
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
8H5A
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BU of 8h5a by Molmil
Crystal structure of YhaJ effector binding domain (ligand-bound)
分子名称: 2-methylbenzene-1,4-diol, HTH-type transcriptional regulator YhaJ, SODIUM ION
著者Kim, M, Ryu, S.E.
登録日2022-10-12
公開日2023-10-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Structural basis of transcription factor YhaJ for DNT detection.
Iscience, 26, 2023
8H58
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BU of 8h58 by Molmil
Crystal structure of YhaJ effector binding domain
分子名称: HTH-type transcriptional regulator YhaJ, SODIUM ION
著者Kim, M, Ryu, S.E.
登録日2022-10-12
公開日2023-10-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.639 Å)
主引用文献Structural basis of transcription factor YhaJ for DNT detection.
Iscience, 26, 2023
6H8J
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BU of 6h8j by Molmil
1.45 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPTO
分子名称: 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Ciurli, S.
登録日2018-08-02
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Insights into Urease Inhibition by N-( n-Butyl) Phosphoric Triamide through an Integrated Structural and Kinetic Approach.
J.Agric.Food Chem., 67, 2019
8FDK
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BU of 8fdk by Molmil
Phenylhydroxylamine in Reaction with Human Hemoglobin
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Thomas, L.M, Richter-Addo, G.B.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
8FDN
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BU of 8fdn by Molmil
Human Hemoglobin with N-tertbutylhydroxylamine
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
1D7S
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BU of 1d7s by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF 2,2-DIALKYLGLYCINE DECARBOXYLASE WITH DCS
分子名称: D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, POTASSIUM ION, PROTEIN (2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE)), ...
著者Malashkevich, V.N, Toney, M.D, Strop, P, Keller, J, Jansonius, J.N.
登録日1999-10-19
公開日1999-11-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of dialkylglycine decarboxylase inhibitor complexes.
J.Mol.Biol., 294, 1999
2BSA
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BU of 2bsa by Molmil
Ferredoxin-Nadp Reductase (Mutation: Y 303 S) complexed with NADP
分子名称: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Maya, C.M, Hermoso, J.A, Perez-Dorado, I, Tejero, J, Julvez, M.M, Gomez-Moreno, C, Medina, M.
登録日2005-05-20
公開日2005-10-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H.
Biochemistry, 44, 2005
1D7U
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BU of 1d7u by Molmil
Crystal structure of the complex of 2,2-dialkylglycine decarboxylase with LCS
分子名称: POTASSIUM ION, PROTEIN (2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE)), SODIUM ION, ...
著者Malashkevich, V.N, Toney, M.D, Strop, P, Keller, J, Jansonius, J.N.
登録日1999-10-19
公開日1999-11-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of dialkylglycine decarboxylase inhibitor complexes.
J.Mol.Biol., 294, 1999
8FDL
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BU of 8fdl by Molmil
Human Hemoglobin with Nitrosochloramphenicol
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
4ZFL
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BU of 4zfl by Molmil
Ergothioneine-biosynthetic Ntn hydrolase variant EgtC_C2A with natural substrate
分子名称: (1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium, Amidohydrolase EgtC, GLYCEROL
著者Vit, A, Seebeck, F.P, Blankenfeldt, W.
登録日2015-04-21
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
5J4X
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BU of 5j4x by Molmil
Structure of tetrameric jacalin complexed with Gal beta-(1,3) Gal-beta-OMe
分子名称: 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ...
著者Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M.
登録日2016-04-01
公開日2017-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
8GOD
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BU of 8god by Molmil
Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589
分子名称: 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
著者Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N.
登録日2022-08-24
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
4ZGZ
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BU of 4zgz by Molmil
STRUCTURE OF HUMAN ANTIZYME INHIBITOR IN COMPLEX WITH A C-TERMINAL FRAGMENT OF ANTIZYME
分子名称: Antizyme inhibitor 1, Ornithine decarboxylase antizyme 1
著者Chen, S.F, Wu, H.Y, Chan, N.L.
登録日2015-04-24
公開日2015-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (5.81 Å)
主引用文献Structural basis of antizyme-mediated regulation of polyamine homeostasis
Proc.Natl.Acad.Sci.USA, 112, 2015
5KF7
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BU of 5kf7 by Molmil
Structure of proline utilization A from Sinorhizobium meliloti complexed with L-tetrahydrofuroic acid and NAD+ in space group P3121
分子名称: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Tanner, J.J.
登録日2016-06-12
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Proline Utilization A (PutA) Reveal the Fold and Functions of the Aldehyde Dehydrogenase Superfamily Domain of Unknown Function.
J.Biol.Chem., 291, 2016
8I2E
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BU of 8i2e by Molmil
Crystal structure of Bacillus subtilis LytE in complex with IseA
分子名称: Probable peptidoglycan endopeptidase LytE, Uncharacterized protein YoeB
著者Tandukar, S, Kwon, E, Kim, D.Y.
登録日2023-01-14
公開日2023-04-05
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into the regulation of peptidoglycan DL-endopeptidases by inhibitory protein IseA.
Structure, 31, 2023
8I2D
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BU of 8i2d by Molmil
Crystal structure of Bacillus subtilis LytE
分子名称: Probable peptidoglycan endopeptidase LytE
著者Tandukar, S, Kwon, E, Kim, D.Y.
登録日2023-01-14
公開日2023-04-19
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural insights into the regulation of peptidoglycan DL-endopeptidases by inhibitory protein IseA.
Structure, 31, 2023
8I2F
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BU of 8i2f by Molmil
Crystal structure of Bacillus subtilis LytE catalytic domain in complex with IseA
分子名称: Probable peptidoglycan endopeptidase LytE, Uncharacterized protein YoeB
著者Tandukar, S, Kwon, E, Kim, D.Y.
登録日2023-01-14
公開日2023-04-05
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural insights into the regulation of peptidoglycan DL-endopeptidases by inhibitory protein IseA.
Structure, 31, 2023
2XG6
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BU of 2xg6 by Molmil
Molecular insights into clinically isolated OmpC mutants and their role in multi-drug resistance
分子名称: OMPC, SULFATE ION
著者Lou, H, Naismith, J.H.
登録日2010-05-31
公開日2010-07-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Altered Antibiotic Transport in Ompc Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. Coli.
Plos One, 6, 2011
2XJ9
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BU of 2xj9 by Molmil
Dimer Structure of the bacterial cell division regulator MipZ
分子名称: MAGNESIUM ION, MIPZ, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Michie, K.A, Lowe, J.
登録日2010-07-02
公開日2011-07-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Localized Dimerization and Nucleoid Binding Drive Gradient Formation by the Bacterial Cell Division Inhibitor Mipz.
Mol.Cell, 46, 2012
8IM8
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BU of 8im8 by Molmil
Crystal structure of Periplasmic alpha-amylase (MalS) from E.coli
分子名称: CALCIUM ION, Periplasmic alpha-amylase
著者An, Y, Park, J.T, Park, K.H, Woo, E.J.
登録日2023-03-06
公開日2023-05-24
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Distinctive Permutated Domain Structure of Periplasmic alpha-Amylase (MalS) from Glycoside Hydrolase Family 13 Subfamily 19.
Molecules, 28, 2023
6H9C
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BU of 6h9c by Molmil
Cryo-EM structure of archaeal extremophilic internal membrane-containing Haloarcula californiae icosahedral virus 1 (HCIV-1) at 3.74 Angstroms resolution.
分子名称: (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., ...
著者Abrescia, N.G, Santos-Perez, I, Charro, D.
登録日2018-08-03
公開日2019-03-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Structural basis for assembly of vertical single beta-barrel viruses.
Nat Commun, 10, 2019
6H7Z
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BU of 6h7z by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1
分子名称: (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, ...
著者Motlova, L, Novakova, Z, Barinka, C.
登録日2018-07-31
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6HK2
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BU of 6hk2 by Molmil
Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO)
分子名称: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Cerutti, G, Savino, C, Montemiglio, L.C, Boffi, A.
登録日2018-09-05
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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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