1Z62
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![BU of 1z62 by Molmil](/molmil-images/mine/1z62) | Indirubin-3'-aminooxy-acetate inhibits glycogen phosphorylase by binding at the inhibitor and the allosteric site. Broad specificities of the two sites | Descriptor: | ({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Kosmopoulou, M.N, Leonidas, D.D, Chrysina, E.D, Eisenbrand, G, Oikonomakos, N.G. | Deposit date: | 2005-03-21 | Release date: | 2006-03-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Indirubin-3'-Aminooxy-Acetate Inhibits Glycogen Phosphorylase by Binding at the Inhibitor and the Allosteric Site. Broad Specificities of the Two Sites LETT.DRUG DES.DISCOVERY, 2, 2005
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6HG4
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![BU of 6hg4 by Molmil](/molmil-images/mine/6hg4) | |
6HGA
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![BU of 6hga by Molmil](/molmil-images/mine/6hga) | |
8JNV
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![BU of 8jnv by Molmil](/molmil-images/mine/8jnv) | PfDXR - Mn2+ - MAMK89 ternary complex | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | Deposit date: | 2023-06-06 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR). Acs Infect Dis., 10, 2024
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8JNW
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![BU of 8jnw by Molmil](/molmil-images/mine/8jnw) | PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | Deposit date: | 2023-06-08 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR). Acs Infect Dis., 10, 2024
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6HGU
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![BU of 6hgu by Molmil](/molmil-images/mine/6hgu) | Crystal Structure of an anti-APP-tag Fab | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, anti-APP-tag Fab heavy-chain, ... | Authors: | Rondeau, J.M, Goepfert, A. | Deposit date: | 2018-08-23 | Release date: | 2019-11-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling. Immunity, 52, 2020
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8QRT
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![BU of 8qrt by Molmil](/molmil-images/mine/8qrt) | |
8QS0
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8AT2
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![BU of 8at2 by Molmil](/molmil-images/mine/8at2) | Structure of the augmin TIII subcomplex | Descriptor: | HAUS augmin like complex subunit 4 L homeolog, HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 3, ... | Authors: | Zupa, E, Pfeffer, S. | Deposit date: | 2022-08-22 | Release date: | 2022-09-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | The augmin complex architecture reveals structural insights into microtubule branching. Nat Commun, 13, 2022
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7OY2
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![BU of 7oy2 by Molmil](/molmil-images/mine/7oy2) | High resolution structure of cytochrome bd-II oxidase from E. coli | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione, CARDIOLIPIN, ... | Authors: | Grund, T.N, Wu, D, Bald, D, Michel, H, Safarian, S. | Deposit date: | 2021-06-23 | Release date: | 2021-12-15 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.06 Å) | Cite: | Mechanistic and structural diversity between cytochrome bd isoforms of Escherichia coli . Proc.Natl.Acad.Sci.USA, 118, 2021
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8AT3
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![BU of 8at3 by Molmil](/molmil-images/mine/8at3) | Structure of the augmin holocomplex in open conformation | Descriptor: | HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ... | Authors: | Zupa, E, Pfeffer, S. | Deposit date: | 2022-08-22 | Release date: | 2022-09-28 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (33 Å) | Cite: | The augmin complex architecture reveals structural insights into microtubule branching. Nat Commun, 13, 2022
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8AT4
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![BU of 8at4 by Molmil](/molmil-images/mine/8at4) | Structure of the augmin holocomplex in closed conformation | Descriptor: | HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ... | Authors: | Zupa, E, Pfeffer, S. | Deposit date: | 2022-08-22 | Release date: | 2022-09-28 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (33 Å) | Cite: | The augmin complex architecture reveals structural insights into microtubule branching. Nat Commun, 13, 2022
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7NUS
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6HG9
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![BU of 6hg9 by Molmil](/molmil-images/mine/6hg9) | |
6HGO
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![BU of 6hgo by Molmil](/molmil-images/mine/6hgo) | Crystal Structure of human IL-17F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17F, ... | Authors: | Rondeau, J.M, Goepfert, A. | Deposit date: | 2018-08-23 | Release date: | 2019-11-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling. Immunity, 52, 2020
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2NLR
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![BU of 2nlr by Molmil](/molmil-images/mine/2nlr) | |
4ZPL
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![BU of 4zpl by Molmil](/molmil-images/mine/4zpl) | Crystal Structure of Protocadherin Beta 1 EC1-3 | Descriptor: | CALCIUM ION, Protein Pcdhb1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Goodman, K.M, Bahna, F, Shapiro, L. | Deposit date: | 2015-05-08 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions. Cell, 163, 2015
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4ZPN
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![BU of 4zpn by Molmil](/molmil-images/mine/4zpn) | Crystal Structure of Protocadherin Gamma C5 EC1-3 with extended N-terminus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MCG133388, ... | Authors: | Goodman, K.M, Wolcott, H.N, Bahna, F, Shapiro, L. | Deposit date: | 2015-05-08 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions. Cell, 163, 2015
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5C4K
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![BU of 5c4k by Molmil](/molmil-images/mine/5c4k) | APH(2")-IVa in complex with GET (G418) at room temperature | Descriptor: | APH(2'')-Id, GENETICIN | Authors: | Kaplan, E, Guichou, J.F, Berrou, K, Chaloin, L, Leban, N, Lallemand, P, Barman, T, Serpersu, E.H, Lionne, C. | Deposit date: | 2015-06-18 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Aminoglycoside binding and catalysis specificity of aminoglycoside 2-phosphotransferase IVa: A thermodynamic, structural and kinetic study. Biochim.Biophys.Acta, 1860, 2016
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5C4L
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![BU of 5c4l by Molmil](/molmil-images/mine/5c4l) | Conformational alternate of sisomicin in complex with APH(2")-IVa | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, (2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol, APH(2'')-Id | Authors: | Kaplan, E, Guichou, J.F, Berrou, K, Chaloin, L, Leban, N, Lallemand, P, Barman, T, Serpersu, E.H, Lionne, C. | Deposit date: | 2015-06-18 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Aminoglycoside binding and catalysis specificity of aminoglycoside 2-phosphotransferase IVa: A thermodynamic, structural and kinetic study. Biochim.Biophys.Acta, 1860, 2016
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6ODH
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![BU of 6odh by Molmil](/molmil-images/mine/6odh) | BH3 domain swapped dimer of a BAK fragment | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bcl-2 homologous antagonist/killer, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, L.-K. | Deposit date: | 2019-03-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A BAK fragment that binds mitochondrial lipids and releases cytochrome c To Be Published
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3UBH
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![BU of 3ubh by Molmil](/molmil-images/mine/3ubh) | Crystal structure of Drosophila N-cadherin EC1-4 | Descriptor: | CALCIUM ION, Neural-cadherin | Authors: | Jin, X, Walker, M.A, Shapiro, L. | Deposit date: | 2011-10-24 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of Drosophila N-cadherin ectodomain regions reveal a widely used class of Ca2+-free interdomain linkers. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UBF
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![BU of 3ubf by Molmil](/molmil-images/mine/3ubf) | Crystal structure of Drosophila N-cadherin EC1-3, I | Descriptor: | CALCIUM ION, Neural-cadherin, ZINC ION | Authors: | Jin, X, Walker, M.A, Shapiro, L. | Deposit date: | 2011-10-24 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of Drosophila N-cadherin ectodomain regions reveal a widely used class of Ca2+-free interdomain linkers. Proc.Natl.Acad.Sci.USA, 109, 2012
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7N4S
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![BU of 7n4s by Molmil](/molmil-images/mine/7n4s) | Bruton's tyrosine kinase in complex with compound 65 | Descriptor: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4R
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![BU of 7n4r by Molmil](/molmil-images/mine/7n4r) | Bruton's tyrosine kinase in complex with compound 21 | Descriptor: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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