5CF8
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![BU of 5cf8 by Molmil](/molmil-images/mine/5cf8) | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | Descriptor: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Sack, J.S. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. Acs Med.Chem.Lett., 6, 2015
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4AAH
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![BU of 4aah by Molmil](/molmil-images/mine/4aah) | METHANOL DEHYDROGENASE FROM METHYLOPHILUS W3A1 | Descriptor: | CALCIUM ION, METHANOL DEHYDROGENASE, PYRROLOQUINOLINE QUINONE | Authors: | Mathews, F.S, Xia, Z.-X. | Deposit date: | 1996-03-10 | Release date: | 1996-12-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Determination of the gene sequence and the three-dimensional structure at 2.4 angstroms resolution of methanol dehydrogenase from Methylophilus W3A1. J.Mol.Biol., 259, 1996
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1SJ9
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![BU of 1sj9 by Molmil](/molmil-images/mine/1sj9) | Crystal structure of the uridine phosphorylase from Salmonella typhimurium at 2.5A resolution | Descriptor: | PHOSPHATE ION, Uridine phosphorylase | Authors: | Dontsova, M, Gabdoulkhakov, A, Morgunova, E, Garber, M, Nikonov, S, Betzel, C, Ealick, S, Mikhailov, A. | Deposit date: | 2004-03-03 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Preliminary investigation of the three-dimensional structure of Salmonella typhimurium uridine phosphorylase in the crystalline state. Acta Crystallogr.,Sect.F, 61, 2005
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6JM5
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![BU of 6jm5 by Molmil](/molmil-images/mine/6jm5) | Crystal structure of TBC1D23 C terminal domain | Descriptor: | SODIUM ION, TBC1 domain family member 23 | Authors: | Sun, Q, Huang, W. | Deposit date: | 2019-03-07 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH. Proc.Natl.Acad.Sci.USA, 116, 2019
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1Z1L
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![BU of 1z1l by Molmil](/molmil-images/mine/1z1l) | The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ... | Authors: | Ding, Y.H, Kohls, D, Low, C. | Deposit date: | 2005-03-04 | Release date: | 2005-06-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System. Biochemistry, 44, 2005
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5Z4Y
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![BU of 5z4y by Molmil](/molmil-images/mine/5z4y) | |
4NFN
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![BU of 4nfn by Molmil](/molmil-images/mine/4nfn) | Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol | Descriptor: | 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol, SULFATE ION, Tau-tubulin kinase 1 | Authors: | Sheriff, S. | Deposit date: | 2013-10-31 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor. Acta Crystallogr F Struct Biol Commun, 70, 2014
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5ZZ3
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![BU of 5zz3 by Molmil](/molmil-images/mine/5zz3) | Crystal structure of intracellular B30.2 domain of BTN3A3 | Descriptor: | Butyrophilin, subfamily 3, member A3 isoform b variant | Authors: | Yang, Y.Y, Li, X, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-05-30 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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6U3U
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![BU of 6u3u by Molmil](/molmil-images/mine/6u3u) | Crystal Structure of Shiga Toxin 2K | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Shiga toxin 2K subunit A, ... | Authors: | Zhang, Y.Z, He, X.H. | Deposit date: | 2019-08-22 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.287 Å) | Cite: | Structural and Functional Characterization of Stx2k, a New Subtype of Shiga Toxin 2. Microorganisms, 8, 2019
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5ZXK
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![BU of 5zxk by Molmil](/molmil-images/mine/5zxk) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1 | Authors: | Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-05-21 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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6KZ5
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![BU of 6kz5 by Molmil](/molmil-images/mine/6kz5) | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | Descriptor: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | Authors: | Hong, W, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2019-09-23 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.45 Å) | Cite: | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression. Proc.Natl.Acad.Sci.USA, 117, 2020
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3NB7
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4NFM
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![BU of 4nfm by Molmil](/molmil-images/mine/4nfm) | Human tau tubulin kinase 1 (TTBK1) | Descriptor: | GLYCEROL, Tau-tubulin kinase 1 | Authors: | Sheriff, S. | Deposit date: | 2013-10-31 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor. Acta Crystallogr F Struct Biol Commun, 70, 2014
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5Z4Z
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5Z50
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![BU of 5z50 by Molmil](/molmil-images/mine/5z50) | Crystal structure of PaCysB regulatory domain | Descriptor: | Cys regulon transcriptional activator, GLYCEROL, SULFATE ION | Authors: | Yang, C, Liang, H, Gan, J. | Deposit date: | 2018-01-15 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa. Mol.Microbiol., 111, 2019
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2BNI
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![BU of 2bni by Molmil](/molmil-images/mine/2bni) | pLI mutant E20C L16G Y17H, antiparallel | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2005-03-24 | Release date: | 2005-03-30 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry, 44, 2005
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7OH2
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7OFX
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![BU of 7ofx by Molmil](/molmil-images/mine/7ofx) | Crystal structure of a GH31 family sulfoquinovosidase mutant D455N from Agrobacterium tumefaciens in complex with sulfoquinovosyl glycerol (SQGro) | Descriptor: | Alpha-glucosidase yihQ, [(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2021-05-05 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7OFY
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![BU of 7ofy by Molmil](/molmil-images/mine/7ofy) | Crystal structure of SQ binding protein from Agrobacterium tumefaciens in complex with sulfoquinovosyl glycerol (SQGro) | Descriptor: | 1,2-ETHANEDIOL, Sulfoquinovosyl binding protein, [(2S,3S,4S,5R,6S)-6-[(2R)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | Authors: | Jarva, M.A, Sharma, M, Goddard-Borger, E.D, Davies, G.J. | Deposit date: | 2021-05-05 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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8IMX
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![BU of 8imx by Molmil](/molmil-images/mine/8imx) | Cryo-EM structure of GPI-T with a chimeric GPI-anchored protein | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, Y, Li, T, Qu, Q, Li, D. | Deposit date: | 2023-03-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis. Nat Commun, 14, 2023
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8IMY
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![BU of 8imy by Molmil](/molmil-images/mine/8imy) | Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, T, Xu, Y, Qu, Q, Li, D. | Deposit date: | 2023-03-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis. Nat Commun, 14, 2023
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6JKM
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![BU of 6jkm by Molmil](/molmil-images/mine/6jkm) | Crystal structure of BubR1 kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | Deposit date: | 2019-03-01 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules. Cell Res., 29, 2019
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5KU9
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![BU of 5ku9 by Molmil](/molmil-images/mine/5ku9) | Crystal structure of MCL1 with compound 1 | Descriptor: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-07-13 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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6JKK
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![BU of 6jkk by Molmil](/molmil-images/mine/6jkk) | Crystal structure of BubR1 kinase domain | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1 | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | Deposit date: | 2019-03-01 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules. Cell Res., 29, 2019
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7OKB
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![BU of 7okb by Molmil](/molmil-images/mine/7okb) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ... | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.58 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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