7L85
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5BZB
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![BU of 5bzb by Molmil](/molmil-images/mine/5bzb) | NavMs voltage-gated sodium channel pore and C-terminal domain | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2015-06-11 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
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3PB0
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5G56
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![BU of 5g56 by Molmil](/molmil-images/mine/5g56) | THE TETRA-MODULAR CELLULOSOMAL ARABINOXYLANASE CtXyl5A STRUCTURE AS REVEALED BY X-RAY CRYSTALLOGRAPHY | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6 | Authors: | Bras, J.L.A, Gilbert, H.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2016-05-21 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | The Mechanism by which Arabinoxylanases Can Recognise Highly Decorated Xylans. J.Biol.Chem., 291, 2016
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5CF5
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![BU of 5cf5 by Molmil](/molmil-images/mine/5cf5) | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.02,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | Descriptor: | N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-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: | 2015-09-02 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5CFT
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![BU of 5cft by Molmil](/molmil-images/mine/5cft) | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1 | Descriptor: | Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ... | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2015-07-08 | Release date: | 2016-03-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design. Acs Chem.Biol., 11, 2016
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7KNJ
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![BU of 7knj by Molmil](/molmil-images/mine/7knj) | C1B domain of Protein kinase C in complex with Phorbol ester and Phosphatidylcholine | Descriptor: | (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Phorbol 12,13-dibutyrate, Protein kinase C delta type, ... | Authors: | Katti, S.S, Krieger, I. | Deposit date: | 2020-11-04 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists. Nat Commun, 13, 2022
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7KO6
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![BU of 7ko6 by Molmil](/molmil-images/mine/7ko6) | C1B domain of Protein kinase C in complex with ingenol-3-angelate and phosphocholine | Descriptor: | (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ... | Authors: | Katti, S.S, Krieger, I.V. | Deposit date: | 2020-11-06 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists. Nat Commun, 13, 2022
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5YMS
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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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5CF4
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![BU of 5cf4 by Molmil](/molmil-images/mine/5cf4) | 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-6-ethyl-4-[(3-methoxypropyl)amino]-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 (2.38 Å) | Cite: | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5ZCE
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![BU of 5zce by Molmil](/molmil-images/mine/5zce) | Crystal structure of Alpha-glucosidase in complex with maltotetraose | Descriptor: | Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Kato, K, Saburi, W, Yao, M. | Deposit date: | 2018-02-16 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.555 Å) | Cite: | Function and structure of GH13_31 alpha-glucosidase with high alpha-(1→4)-glucosidic linkage specificity and transglucosylation activity. FEBS Lett., 592, 2018
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5CJU
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![BU of 5cju by Molmil](/molmil-images/mine/5cju) | Isobutyryl-CoA mutase fused with bound adenosylcobalamin, GDP, Mg (holo-IcmF/GDP), and substrate n-butyryl-coenzyme A | Descriptor: | 5'-DEOXYADENOSINE, Butyryl Coenzyme A, COBALAMIN, ... | Authors: | Jost, M, Drennan, C.L. | Deposit date: | 2015-07-15 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis for Substrate Specificity in Adenosylcobalamin-dependent Isobutyryl-CoA Mutase and Related Acyl-CoA Mutases. J.Biol.Chem., 290, 2015
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5CCE
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![BU of 5cce by Molmil](/molmil-images/mine/5cce) | Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine | Descriptor: | 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ... | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | Deposit date: | 2015-07-02 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5CF6
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![BU of 5cf6 by Molmil](/molmil-images/mine/5cf6) | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | Descriptor: | N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-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 (2.5 Å) | Cite: | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5CLT
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![BU of 5clt by Molmil](/molmil-images/mine/5clt) | Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose | Descriptor: | 1,4-alpha-glucan-branching enzyme, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC) | Deposit date: | 2015-07-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose To be published
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1G7Y
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![BU of 1g7y by Molmil](/molmil-images/mine/1g7y) | THE CRYSTAL STRUCTURE OF THE 58KD VEGETATIVE LECTIN FROM THE TROPICAL LEGUME DOLICHOS BIFLORUS | Descriptor: | CALCIUM ION, MANGANESE (II) ION, STEM/LEAF LECTIN DB58, ... | Authors: | Buts, L, Hamelryck, T.W, Loris, R, Dao-Thi, M.-H, Wyns, L, Etzler, M.E. | Deposit date: | 2000-11-15 | Release date: | 2000-11-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Weak protein-protein interactions in lectins: the crystal structure of a vegetative lectin from the legume Dolichos biflorus. J.Mol.Biol., 309, 2001
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7P6J
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![BU of 7p6j by Molmil](/molmil-images/mine/7p6j) | Crystal structure of glycosyl-enzyme intermediate of RBcel1 Y201F | Descriptor: | Endoglucanase, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Collet, L, Dutoit, R. | Deposit date: | 2021-07-16 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Highlighting the factors governing transglycosylation in the GH5_5 endo-1,4-beta-glucanase RBcel1. Acta Crystallogr D Struct Biol, 78, 2022
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5AEG
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![BU of 5aeg by Molmil](/molmil-images/mine/5aeg) | A bacterial protein structure in glycoside hydrolase family 31. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-alpha-L-idopyranose, ALPHA-GLUCOSIDASE YIHQ, ... | Authors: | Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D. | Deposit date: | 2015-08-30 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol., 12, 2016
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3BGX
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![BU of 3bgx by Molmil](/molmil-images/mine/3bgx) | E. coli Thymidylate Synthase C146S mutant complexed with dTMP and MTF | Descriptor: | N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, SULFATE ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Roberts, S.A, Montfort, W.R. | Deposit date: | 2007-11-27 | Release date: | 2008-12-09 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Studies of Early Events in Catalysis by Thymidylate Synthase To be Published
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5GOD
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![BU of 5god by Molmil](/molmil-images/mine/5god) | Lys27-linked di-ubiquitin | Descriptor: | D-ubiquitin, MAGNESIUM ION, Ubiquitin | Authors: | Gao, S, Pan, M, Zheng, Y. | Deposit date: | 2016-07-26 | Release date: | 2016-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5EBE
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![BU of 5ebe by Molmil](/molmil-images/mine/5ebe) | Structure of human sphingomyelinase phosphodiesterase like 3A (SMPDL3A) with 5' CMP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-O-phosphono-beta-D-ribofuranose, ... | Authors: | Lim, S.M, Yeung, K, Tresaugues, L, Teo, H.L, Nordlund, P. | Deposit date: | 2015-10-19 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure and catalytic mechanism of human sphingomyelin phosphodiesterase like 3a - an acid sphingomyelinase homologue with a novel nucleotide hydrolase activity. Febs J., 283, 2016
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7LCB
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![BU of 7lcb by Molmil](/molmil-images/mine/7lcb) | C1B domain of Protein kinase C in complex with prostratin and phosphatidylcholine | Descriptor: | (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ... | Authors: | Katti, S.S, Krieger, I.V. | Deposit date: | 2021-01-10 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists. Nat Commun, 13, 2022
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3ASD
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![BU of 3asd by Molmil](/molmil-images/mine/3asd) | MamA R50E mutant | Descriptor: | MamA | Authors: | Zeytuni, N, Davidov, G, Zarivach, R. | Deposit date: | 2010-12-10 | Release date: | 2011-07-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Self-recognition mechanism of MamA, a magnetosome-associated TPR-containing protein, promotes complex assembly Proc.Natl.Acad.Sci.USA, 108, 2011
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5X7P
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![BU of 5x7p by Molmil](/molmil-images/mine/5x7p) | Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with acarbose | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | Deposit date: | 2017-02-27 | Release date: | 2017-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch Biochem. J., 474, 2017
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