3PUP
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![BU of 3pup by Molmil](/molmil-images/mine/3pup) | Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1) | Descriptor: | Glycogen synthase kinase-3 beta, Ruthenium octasporine | Authors: | Filippakopoulos, P, Kraling, K, Essen, L.O, Meggers, E, Knapp, S. | Deposit date: | 2010-12-06 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors. J.Am.Chem.Soc., 133, 2011
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6RQ3
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![BU of 6rq3 by Molmil](/molmil-images/mine/6rq3) | CYP121 in complex with 2,6-dimethyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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3FXY
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![BU of 3fxy by Molmil](/molmil-images/mine/3fxy) | Acidic Mammalian Chinase, Catalytic Domain | Descriptor: | Acidic mammalian chitinase | Authors: | Olland, A.M. | Deposit date: | 2009-01-21 | Release date: | 2009-03-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Triad of polar residues implicated in pH specificity of acidic mammalian chitinase. Protein Sci., 18, 2009
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6RQE
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![BU of 6rqe by Molmil](/molmil-images/mine/6rqe) | CYP121 in complex with 3-acetylene dicyclotyrosine | Descriptor: | 3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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7USQ
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![BU of 7usq by Molmil](/molmil-images/mine/7usq) | |
7USO
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![BU of 7uso by Molmil](/molmil-images/mine/7uso) | |
7USP
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![BU of 7usp by Molmil](/molmil-images/mine/7usp) | |
4EHG
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![BU of 4ehg by Molmil](/molmil-images/mine/4ehg) | B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor | Descriptor: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C. | Deposit date: | 2012-04-02 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties. J.Med.Chem., 55, 2012
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8TS4
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![BU of 8ts4 by Molmil](/molmil-images/mine/8ts4) | Crystal structure of T. Brucei hypoxanthine guanine phosphoribosyltransferase in complex with [2S,4S]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine | Descriptor: | (3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Guddat, L.W, Guddat, L.W. | Deposit date: | 2023-08-10 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design. J.Med.Chem., 67, 2024
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8TR1
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8TPY
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![BU of 8tpy by Molmil](/molmil-images/mine/8tpy) | |
8TPV
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1SAN
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![BU of 1san by Molmil](/molmil-images/mine/1san) | |
4DOO
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![BU of 4doo by Molmil](/molmil-images/mine/4doo) | Crystal structure of Arabidopsis thaliana fatty-acid binding protein At3g63170 (AtFAP1) | Descriptor: | Chalcone-flavanone isomerase family protein, LAURIC ACID, POTASSIUM ION | Authors: | Noel, J.P, Pojer, F, Louie, G.V, Bowman, M.E. | Deposit date: | 2012-02-09 | Release date: | 2012-05-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis. Nature, 485, 2012
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4DOK
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6JPW
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![BU of 6jpw by Molmil](/molmil-images/mine/6jpw) | Crystal structure of Zika NS2B-NS3 protease with compound 1C | Descriptor: | NS3 protease, SER-C0F-GLY-LYS-ARG-LYS, Serine protease subunit NS2B | Authors: | Quek, J.P. | Deposit date: | 2019-03-28 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Biocompatible Macrocyclization between Cysteine and 2-Cyanopyridine Generates Stable Peptide Inhibitors. Org.Lett., 21, 2019
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2LFB
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![BU of 2lfb by Molmil](/molmil-images/mine/2lfb) | HOMEODOMAIN FROM RAT LIVER LFB1/HNF1 TRANSCRIPTION FACTOR, NMR, 20 STRUCTURES | Descriptor: | LFB1/HNF1 TRANSCRIPTION FACTOR | Authors: | Schott, O, Billeter, M, Leiting, B, Wider, G, Wuthrich, K. | Deposit date: | 1996-12-12 | Release date: | 1997-03-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The NMR solution structure of the non-classical homeodomain from the rat liver LFB1/HNF1 transcription factor. J.Mol.Biol., 267, 1997
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2NTI
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![BU of 2nti by Molmil](/molmil-images/mine/2nti) | Crystal structure of PCNA123 heterotrimer. | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, BROMIDE ION, DNA polymerase sliding clamp A, ... | Authors: | Hlinkova, V, Ling, H. | Deposit date: | 2006-11-07 | Release date: | 2007-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of monomeric, dimeric and trimeric PCNA: PCNA-ring assembly and opening. Acta Crystallogr.,Sect.D, 64, 2008
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6C6C
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![BU of 6c6c by Molmil](/molmil-images/mine/6c6c) | Structure of glycolipid aGSA[20,6P] in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6C6H
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![BU of 6c6h by Molmil](/molmil-images/mine/6c6h) | Structure of glycolipid aGSA[8,P5m] in complex with mouse CD1d | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6C69
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![BU of 6c69 by Molmil](/molmil-images/mine/6c69) | Structure of glycolipid aGSA[12,6P] in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6C6E
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![BU of 6c6e by Molmil](/molmil-images/mine/6c6e) | Structure of glycolipid aGSA[26,6P] in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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3RG3
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7KHD
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![BU of 7khd by Molmil](/molmil-images/mine/7khd) | Human GITR-GITRL complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | Authors: | Wang, F, Chau, B, West, S.M, Strop, P. | Deposit date: | 2020-10-21 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.956102 Å) | Cite: | Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions. Nat Commun, 12, 2021
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7KHX
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![BU of 7khx by Molmil](/molmil-images/mine/7khx) | Mouse GITR-GITRL complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, ... | Authors: | Wang, F, Chau, B, West, S.M, Strop, P. | Deposit date: | 2020-10-22 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.20569849 Å) | Cite: | Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions. Nat Commun, 12, 2021
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