7CYA
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![BU of 7cya by Molmil](/molmil-images/mine/7cya) | Saimiri boliviensis boliviensis galectin-13 with lactose | Descriptor: | Galectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J. | Deposit date: | 2020-09-03 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Actin binding to galectin-13/placental protein-13 occurs independently of the galectin canonical ligand-binding site. Glycobiology, 31, 2021
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7CYB
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![BU of 7cyb by Molmil](/molmil-images/mine/7cyb) | Saimiri boliviensis boliviensis galectin-13 with glycerol | Descriptor: | GLYCEROL, Galectin | Authors: | Su, J. | Deposit date: | 2020-09-03 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Actin binding to galectin-13/placental protein-13 occurs independently of the galectin canonical ligand-binding site. Glycobiology, 31, 2021
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5XKD
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![BU of 5xkd by Molmil](/molmil-images/mine/5xkd) | Crystal structure of dibenzothiophene sulfone monooxygenase BdsA in complex with FMN at 2.4 angstrom | Descriptor: | Dibenzothiophene desulfurization enzyme A, FLAVIN MONONUCLEOTIDE | Authors: | Gu, L, Su, T, Liu, S, Su, J. | Deposit date: | 2017-05-07 | Release date: | 2018-05-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway. Front Microbiol, 9, 2018
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5XKC
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![BU of 5xkc by Molmil](/molmil-images/mine/5xkc) | Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome | Descriptor: | Dibenzothiophene desulfurization enzyme A | Authors: | Gu, L, Su, T, Liu, S, Su, J. | Deposit date: | 2017-05-07 | Release date: | 2018-05-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway. Front Microbiol, 9, 2018
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5WYS
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![BU of 5wys by Molmil](/molmil-images/mine/5wys) | luciferase with inhibitor 3i | Descriptor: | 5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid, Luciferin 4-monooxygenase | Authors: | Gu, L, Su, J, Wang, F. | Deposit date: | 2017-01-15 | Release date: | 2017-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.999 Å) | Cite: | Inhibiting Firefly Bioluminescence by Chalcones Anal. Chem., 89, 2017
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6M4R
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![BU of 6m4r by Molmil](/molmil-images/mine/6m4r) | Structure of Human Serum Albumin | Descriptor: | Serum albumin | Authors: | Xiang, W, Su, J. | Deposit date: | 2020-03-09 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of Human Serum Albumin To Be Published
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3PFT
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![BU of 3pft by Molmil](/molmil-images/mine/3pft) | Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN From Mycobacterium goodii | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavin reductase | Authors: | Li, Q, Xu, P, Ma, C, Gu, L, Liu, X, Zhang, C, Li, N, Su, J, Li, B, Liu, S. | Deposit date: | 2010-10-29 | Release date: | 2011-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | The flavin reductase DSZD from a desulfurizing mycobacterium goodii strain: systemic manipulation and investigation based on the crystal structure To be Published
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7W72
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![BU of 7w72 by Molmil](/molmil-images/mine/7w72) | Structure of a human glycosylphosphatidylinositol (GPI) transamidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GPI transamidase component PIG-S, ... | Authors: | Zhang, H, Su, J, Li, B, Gao, Y, Zhang, X.C, Zhao, Y. | Deposit date: | 2021-12-02 | Release date: | 2022-02-16 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of human glycosylphosphatidylinositol transamidase. Nat.Struct.Mol.Biol., 29, 2022
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7DJN
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![BU of 7djn by Molmil](/molmil-images/mine/7djn) | Human Serum Albumin | Descriptor: | Serum albumin | Authors: | Xiang, W, Yue, Z, Su, J. | Deposit date: | 2020-11-20 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Human Serum Albumin To Be Published
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5XG8
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![BU of 5xg8 by Molmil](/molmil-images/mine/5xg8) | Galectin-13/Placental Protein 13 variant R53H crystal structure | Descriptor: | GLYCEROL, Galactoside-binding soluble lectin 13 | Authors: | Wang, Y, Su, J.Y. | Deposit date: | 2017-04-12 | Release date: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138 Sci Rep, 8, 2018
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4RL7
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![BU of 4rl7 by Molmil](/molmil-images/mine/4rl7) | |
5XG7
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![BU of 5xg7 by Molmil](/molmil-images/mine/5xg7) | Galectin-13/Placental Protein 13 crystal structure | Descriptor: | Galactoside-binding soluble lectin 13 | Authors: | Su, J.Y, Wang, Y. | Deposit date: | 2017-04-12 | Release date: | 2018-01-31 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138 Sci Rep, 8, 2018
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6A66
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![BU of 6a66 by Molmil](/molmil-images/mine/6a66) | Placental protein 13/galectin-13 variant R53H with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Galactoside-binding soluble lectin 13 | Authors: | Su, J.Y. | Deposit date: | 2018-06-26 | Release date: | 2018-12-26 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose Biosci. Rep., 38, 2018
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4R9D
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![BU of 4r9d by Molmil](/molmil-images/mine/4r9d) | |
4R9C
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![BU of 4r9c by Molmil](/molmil-images/mine/4r9c) | |
4R9A
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![BU of 4r9a by Molmil](/molmil-images/mine/4r9a) | |
4R9B
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![BU of 4r9b by Molmil](/molmil-images/mine/4r9b) | |
2Y09
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![BU of 2y09 by Molmil](/molmil-images/mine/2y09) | |
2XZV
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![BU of 2xzv by Molmil](/molmil-images/mine/2xzv) | |
7VDD
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![BU of 7vdd by Molmil](/molmil-images/mine/7vdd) | Human TOM complex with cross-linking | Descriptor: | Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, Mitochondrial import receptor subunit TOM5 homolog, ... | Authors: | Liu, D.S, Sui, S.F. | Deposit date: | 2021-09-06 | Release date: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Structural basis of Tom20 and Tom22 cytosolic domains as the human TOM complex receptors. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VD2
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![BU of 7vd2 by Molmil](/molmil-images/mine/7vd2) | Human TOM complex without cross-linking | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ... | Authors: | Liu, D.S, Sui, S.F. | Deposit date: | 2021-09-06 | Release date: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Structural basis of Tom20 and Tom22 cytosolic domains as the human TOM complex receptors. Proc.Natl.Acad.Sci.USA, 119, 2022
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5FDP
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![BU of 5fdp by Molmil](/molmil-images/mine/5fdp) | Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution. | Descriptor: | (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors. J.Med.Chem., 59, 2016
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4XHD
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![BU of 4xhd by Molmil](/molmil-images/mine/4xhd) | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 | Descriptor: | GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Khan, J.A, Camac, D.M. | Deposit date: | 2015-01-05 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR. J.Mol.Biol., 427, 2015
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8UTE
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![BU of 8ute by Molmil](/molmil-images/mine/8ute) | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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7SUI
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![BU of 7sui by Molmil](/molmil-images/mine/7sui) | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 22 | Descriptor: | (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R.L. | Deposit date: | 2021-11-17 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J.Med.Chem., 65, 2022
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