8R42
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![BU of 8r42 by Molmil](/molmil-images/mine/8r42) | Structure of CHI3L1 in complex with inhibititor 2 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | Deposit date: | 2023-11-10 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1. J.Med.Chem., 67, 2024
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8AUP
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![BU of 8aup by Molmil](/molmil-images/mine/8aup) | Structure of hARG1 with a novel inhibitor. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, ... | Authors: | Napiorkowska-Gromadzka, A, Nowak, E, Nowotny, M. | Deposit date: | 2022-08-25 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Arginase 1/2 Inhibitor OATD-02: From Discovery to First-in-man Setup in Cancer Immunotherapy. Mol.Cancer Ther., 22, 2023
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7CTQ
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![BU of 7ctq by Molmil](/molmil-images/mine/7ctq) | Peptidyl tryptophan dihydroxylase QhpG essential for tryptophylquinone cofactor biogenesis | Descriptor: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, HEXANE-1,6-DIOL, ... | Authors: | Oozeki, T, Nakai, T, Okajima, T. | Deposit date: | 2020-08-20 | Release date: | 2021-02-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Functional and structural characterization of a flavoprotein monooxygenase essential for biogenesis of tryptophylquinone cofactor. Nat Commun, 12, 2021
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3JRQ
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![BU of 3jrq by Molmil](/molmil-images/mine/3jrq) | Crystal structure of (+)-ABA-bound PYL1 in complex with ABI1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Protein phosphatase 2C 56, Putative uncharacterized protein At5g46790 | Authors: | Miyazono, K, Miyakawa, T, Sawano, Y, Kubota, K, Tanokura, M. | Deposit date: | 2009-09-08 | Release date: | 2009-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of abscisic acid signalling Nature, 462, 2009
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3JRS
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![BU of 3jrs by Molmil](/molmil-images/mine/3jrs) | Crystal structure of (+)-ABA-bound PYL1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At5g46790 | Authors: | Miyazono, K, Miyakawa, T, Sawano, Y, Kubota, K, Tanokura, M. | Deposit date: | 2009-09-08 | Release date: | 2009-11-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of abscisic acid signalling Nature, 462, 2009
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5Y50
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![BU of 5y50 by Molmil](/molmil-images/mine/5y50) | Crystal structure of eukaryotic MATE transporter AtDTX14 | Descriptor: | Protein DETOXIFICATION 14 | Authors: | Miyauchi, H, Kusakizako, T, Nishizawa, T, Ishitani, R, Nureki, O. | Deposit date: | 2017-08-06 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for xenobiotic extrusion by eukaryotic MATE transporter Nat Commun, 8, 2017
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2EQL
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![BU of 2eql by Molmil](/molmil-images/mine/2eql) | |
5AYI
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![BU of 5ayi by Molmil](/molmil-images/mine/5ayi) | Crystal structure of GH1 Beta-glucosidase TD2F2 N223Q mutant | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, BETA-GLUCOSIDASE, GLYCEROL, ... | Authors: | Jo, T, Manninen, J.A, Matsuzawa, T, Uchiyama, T, Yaoi, K, Arakawa, T, Fushinobu, S. | Deposit date: | 2015-08-21 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2 Febs J., 283, 2016
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5AYB
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![BU of 5ayb by Molmil](/molmil-images/mine/5ayb) | Crystal structure of GH1 Beta-Glucosidase TD2F2 N223G mutant | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, BETA-GLUCOSIDASE, ... | Authors: | Jo, T, Manninen, J.A, Matsuzawa, T, Uchiyama, T, Yaoi, K, Arakawa, T, Fushinobu, S. | Deposit date: | 2015-08-12 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2 Febs J., 283, 2016
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6SDG
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3Q2Z
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![BU of 3q2z by Molmil](/molmil-images/mine/3q2z) | Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-L-aspartic acid | Descriptor: | N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H. | Deposit date: | 2010-12-21 | Release date: | 2011-12-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors Bioorg.Med.Chem., 19, 2011
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3Q30
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![BU of 3q30 by Molmil](/molmil-images/mine/3q30) | Human Squalene synthase in complex with (2R,3R)-2-Carboxymethoxy-3-[5-(2-naphthalenyl)pentyl]aminocarbonyl-3-[5-(2-naphthalenyl)pentyloxy]propionic acid | Descriptor: | (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H. | Deposit date: | 2010-12-21 | Release date: | 2011-12-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors Bioorg.Med.Chem., 19, 2011
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7C52
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![BU of 7c52 by Molmil](/molmil-images/mine/7c52) | Co-crystal structure of a photosynthetic LH1-RC in complex with electron donor HiPIP | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BACTERIOCHLOROPHYLL A, ... | Authors: | Yu, L.-J, Wang-Otomo, Z.-Y. | Deposit date: | 2020-05-18 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Crystal structure of a photosynthetic LH1-RC in complex with its electron donor HiPIP. Nat Commun, 12, 2021
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1A03
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![BU of 1a03 by Molmil](/molmil-images/mine/1a03) | THE THREE-DIMENSIONAL STRUCTURE OF CA2+-BOUND CALCYCLIN: IMPLICATIONS FOR CA2+-SIGNAL TRANSDUCTION BY S100 PROTEINS, NMR, 20 STRUCTURES | Descriptor: | CALCYCLIN (RABBIT, CA2+) | Authors: | Sastry, M, Ketchem, R.R, Crescenzi, O, Weber, C, Lubienski, M.J, Hidaka, H, Chazin, W.J. | Deposit date: | 1997-12-08 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional structure of Ca(2+)-bound calcyclin: implications for Ca(2+)-signal transduction by S100 proteins. Structure, 6, 1998
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7YU1
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![BU of 7yu1 by Molmil](/molmil-images/mine/7yu1) | |
7YU0
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5H35
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![BU of 5h35 by Molmil](/molmil-images/mine/5h35) | Crystal structures of the TRIC trimeric intracellular cation channel orthologue from Sulfolobus solfataricus | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Kasuya, G, Hiraizumi, M, Hattori, M, Nureki, O. | Deposit date: | 2016-10-20 | Release date: | 2017-01-11 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Crystal structures of the TRIC trimeric intracellular cation channel orthologues Cell Res., 26, 2016
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7YU2
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3IWR
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![BU of 3iwr by Molmil](/molmil-images/mine/3iwr) | Crystal structure of class I chitinase from Oryza sativa L. japonica | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chitinase | Authors: | Kezuka, Y, Watanabe, T, Nonaka, T. | Deposit date: | 2009-09-03 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering. Proteins, 78, 2010
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5H36
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![BU of 5h36 by Molmil](/molmil-images/mine/5h36) | Crystal structures of the TRIC trimeric intracellular cation channel orthologue from Rhodobacter sphaeroides | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Uncharacterized protein TRIC | Authors: | Kasuya, G, Hiraizumi, M, Hattori, M, Nureki, O. | Deposit date: | 2016-10-20 | Release date: | 2017-01-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.409 Å) | Cite: | Crystal structures of the TRIC trimeric intracellular cation channel orthologues Cell Res., 26, 2016
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1IDM
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![BU of 1idm by Molmil](/molmil-images/mine/1idm) | 3-ISOPROPYLMALATE DEHYDROGENASE, LOOP-DELETED CHIMERA | Descriptor: | 3-ISOPROPYLMALATE DEHYDROGENASE | Authors: | Sakurai, M, Ohzeki, M, Moriyama, H, Sato, M, Tanaka, N. | Deposit date: | 1995-05-19 | Release date: | 1995-09-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a loop-deleted variant of 3-isopropylmalate dehydrogenase from Thermus thermophilus: an internal reprieve tolerance mechanism. Acta Crystallogr.,Sect.D, 52, 1996
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7TBJ
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![BU of 7tbj by Molmil](/molmil-images/mine/7tbj) | Composite structure of the human nuclear pore complex (NPC) symmetric core generated with a 12A cryo-ET map of the purified HeLa cell NPC | Descriptor: | NUP107 CTD, NUP107 NTD, NUP133, ... | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-12-22 | Release date: | 2022-06-22 | Last modified: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (23 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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5H2B
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![BU of 5h2b by Molmil](/molmil-images/mine/5h2b) | Structure of a novel antibody G196 | Descriptor: | G196 antibody Heavy chain, G196 antibody Light chain | Authors: | Park, S.Y, Sugiyama, K. | Deposit date: | 2016-10-14 | Release date: | 2017-03-22 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | G196 epitope tag system: a novel monoclonal antibody, G196, recognizes the small, soluble peptide DLVPR with high affinity. Sci Rep, 7, 2017
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2CNP
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3WH5
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![BU of 3wh5 by Molmil](/molmil-images/mine/3wh5) | Crystal structure of GH1 beta-glucosidase Td2F2 | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, SODIUM ION, ... | Authors: | Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K. | Deposit date: | 2013-08-21 | Release date: | 2014-09-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2. Febs J., 283, 2016
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