6T3P
 
 | | Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | | 分子名称: | Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | 登録日 | 2019-10-11 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | | 主引用文献 | Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
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1E21
 | | Ribonuclease 1 des1-7 Crystal Structure at 1.9A | | 分子名称: | RIBONUCLEASE 1 | | 著者 | Pous, J, Mallorqui-Fernandez, G, Peracaula, R, Terzyan, S.S, Futami, J, Tada, H, Yamada, H, Seno, M, De Llorens, R, Gomis-Ruth, F.X, Coll, M. | | 登録日 | 2000-05-15 | | 公開日 | 2001-05-03 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Three-Dimensional Crystal Structure of Human Rnase 1Dn7 at 1.9A Resolution
Acta Crystallogr.,Sect.D, 57, 2001
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6T9A
 | | Crystal structrue of RSL W31FW76F lectin mutant in complex with L-fucose | | 分子名称: | 1,2-ETHANEDIOL, Fucose-binding lectin protein, alpha-L-fucopyranose, ... | | 著者 | Houser, J, Kozmon, S, Wimmerova, M. | | 登録日 | 2019-10-26 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020
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6T9N
 | | CryoEM structure of human polycystin-2/PKD2 in UDM supplemented with PI(4,5)P2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Wang, Q, Pike, A.C.W, Grieben, M, Baronina, A, Nasrallah, C, Shintre, C, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-28 | | 公開日 | 2019-11-20 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2.
Structure, 28, 2020
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1DOZ
 | | CRYSTAL STRUCTURE OF FERROCHELATASE | | 分子名称: | FERROCHELATASE, MAGNESIUM ION | | 著者 | Lecerof, D, Fodje, M, Hansson, A, Hansson, M, Al-Karadaghi, S. | | 登録日 | 1999-12-22 | | 公開日 | 2000-01-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and mechanistic basis of porphyrin metallation by ferrochelatase.
J.Mol.Biol., 297, 2000
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6TDG
 | | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2 | | 分子名称: | 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase | | 著者 | Raimi, O.G, Stanley, M, Lockhart, D. | | 登録日 | 2019-11-08 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Targeting a critical step in fungal hexosamine biosynthesis.
J.Biol.Chem., 295, 2020
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6T7Q
 | | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | | 分子名称: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ... | | 著者 | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | 登録日 | 2019-10-23 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Human Aldose Reductase Mutant L301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
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6T1O
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 6 | | 分子名称: | 1,2-ETHANEDIOL, 4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | 著者 | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-04 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
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1E1F
 | | Crystal structure of a Monocot (Maize ZMGlu1) beta-glucosidase in complex with p-Nitrophenyl-beta-D-thioglucoside | | 分子名称: | 4-nitrophenyl 1-thio-beta-D-glucopyranoside, BETA-GLUCOSIDASE | | 著者 | Czjzek, M, Cicek, M, Bevan, D.R, Henrissat, B, Esen, A. | | 登録日 | 2000-05-03 | | 公開日 | 2001-02-19 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of a Monocotyledon (Maize Zmglu1) Beta-Glucosidase and a Model of its Complex with P-Nitrophenyl Beta-D-Thioglucoside
Biochem.J., 354, 2001
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6TK3
 | | Femtosecond to millisecond structural changes in a light-driven sodium pump: 30us+150us structure of KR2 with extrapolated, light and dark datasets | | 分子名称: | EICOSANE, RETINAL, Sodium pumping rhodopsin | | 著者 | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | | 登録日 | 2019-11-28 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
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6TLB
 | | Plasmodium falciparum lipocalin (PF3D7_0925900) | | 分子名称: | GLYCEROL, SODIUM ION, Serine/threonine protein kinase | | 著者 | Burda, P.C, Crosskey, T.D, Lauk, K, Wilmanns, M, Gilberger, T.W. | | 登録日 | 2019-12-02 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | SOLUTION SCATTERING (2.85 Å), X-RAY DIFFRACTION | | 主引用文献 | Structure-Based Identification and Functional Characterization of a Lipocalin in the Malaria Parasite Plasmodium falciparum.
Cell Rep, 31, 2020
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6TLY
 | | Crystal structure of the unconventional kinetochore protein Bodo saltans KKT2 central domain | | 分子名称: | CHLORIDE ION, Protein kinase, putative, ... | | 著者 | Marciano, G, Nerusheva, O, Ishii, M, Akiyoshi, B. | | 登録日 | 2019-12-03 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Kinetoplastid kinetochore proteins KKT2 and KKT3 have unique centromere localization domains.
J.Cell Biol., 220, 2021
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6T9O
 | | CryoEM structure of human polycystin-2/PKD2 in UDM supplemented with PI(3,5)P2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Wang, Q, Pike, A.C.W, Grieben, M, Baronina, A, Nasrallah, C, Shintre, C, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-28 | | 公開日 | 2019-11-20 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2.
Structure, 28, 2020
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6TA0
 | | Human NAMPT in complex with nicotinic acid and phosphoribosyl pyrophosphate | | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, NICOTINIC ACID, ... | | 著者 | Houry, D, Raasakka, A, Kursula, P, Ziegler, M. | | 登録日 | 2019-10-29 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Identification of structural determinants of NAMPT activity and substrate selectivity
To Be Published
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8RUF
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV D187A mutant | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | 登録日 | 2024-01-30 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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1DMO
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1DVH
 | | STRUCTURE AND DYNAMICS OF FERROCYTOCHROME C553 FROM DESULFOVIBRIO VULGARIS STUDIED BY NMR SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | | 分子名称: | CYTOCHROME C553, HEME C | | 著者 | Blackledge, M.J, Medvedeva, S, Poncin, M, Guerlesquin, F, Bruschi, M, Marion, D. | | 登録日 | 1995-02-24 | | 公開日 | 1995-06-03 | | 最終更新日 | 2021-03-03 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and dynamics of ferrocytochrome c553 from Desulfovibrio vulgaris studied by NMR spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 245, 1995
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6TO9
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6TPD
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | 分子名称: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one, Tyrosine-protein kinase JAK2 | | 著者 | Hansen, B.B, Jepsen, T.J, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Moelck, C, Rai, S, Nasipireddy, V.R, Ritzen, A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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6T2U
 | | Cryo-EM structure of the RecBCD in complex with Chi-minus2 substrate | | 分子名称: | DNA (Chi-minus2), RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ... | | 著者 | Cheng, K, Wilkinson, M, Wigley, D.B. | | 登録日 | 2019-10-09 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A conformational switch in response to Chi converts RecBCD from phage destruction to DNA repair.
Nat.Struct.Mol.Biol., 27, 2020
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6TE4
 | | Structural insights into Pseudomonas aeruginosa Type six secretion system exported effector 8: Tse8 in complex with a peptide | | 分子名称: | Pro-Pro-Leu-Ala-Ser-Lys, Tse8 | | 著者 | Sainz-Polo, M.A, Capuni, R, Lucas, M, Altuna, J, Fucini, P, Montanchez, I, Albesa-Jove, D. | | 登録日 | 2019-11-11 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structural insights into Pseudomonas aeruginosaType six secretion system exported effector 8.
J.Struct.Biol., 212, 2020
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8RUD
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV K138A mutant | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | 登録日 | 2024-01-30 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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6TF7
 | | Human galectin-3c in complex with a galactose derivative | | 分子名称: | 4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide, CHLORIDE ION, Galectin-3, ... | | 著者 | Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T. | | 登録日 | 2019-11-13 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3.
Molecules, 24, 2019
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6TGD
 | | Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31 | | 分子名称: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione, CALCIUM ION, Metallo-beta-lactamase NDM-1, ... | | 著者 | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | | 登録日 | 2019-11-15 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
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8RUG
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV C189A mutant | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | 登録日 | 2024-01-30 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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