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7DTZ
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BU of 7dtz by Molmil
FGFR4 complex with a covalent inhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION
Authors:Chen, X.J, Dai, S.Y, Chen, Y.H.
Deposit date:2021-01-07
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4LPG
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BU of 4lpg by Molmil
Crystal structure of human FPPS in complex with CL01131
Descriptor: ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2013-07-16
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
7YNX
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BU of 7ynx by Molmil
Crystal structure of Pirh2 bound to poly-Ala peptide
Descriptor: RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ...
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-08-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recognition of an Ala-rich C-degron by the E3 ligase Pirh2.
Nat Commun, 14, 2023
8BZR
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BU of 8bzr by Molmil
UFC1-UFM1 conjugate
Descriptor: 1,2-ETHANEDIOL, Ubiquitin-fold modifier 1, Ubiquitin-fold modifier-conjugating enzyme 1
Authors:Magnussen, H.M, Kulathu, Y.
Deposit date:2022-12-15
Release date:2023-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:The UFM1 E3 ligase recognizes and releases 60S ribosomes from ER translocons.
Nature, 627, 2024
5YSD
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BU of 5ysd by Molmil
Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophorotriose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ...
Authors:Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S.
Deposit date:2017-11-14
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua.
J. Biol. Chem., 293, 2018
4WCC
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BU of 4wcc by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P225G
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4WDB
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BU of 4wdb by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation R307Q, complexed with 2'-AMP
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
7YUJ
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BU of 7yuj by Molmil
Crystal structure of HOIL-1L(365-510)
Descriptor: DI(HYDROXYETHYL)ETHER, RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION
Authors:Xiao, L, Pan, L.
Deposit date:2022-08-17
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.865 Å)
Cite:Mechanistic insights into the enzymatic activity of E3 ligase HOIL-1L and its regulation by the linear ubiquitin chain binding.
Sci Adv, 9, 2023
6JPA
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BU of 6jpa by Molmil
Rabbit Cav1.1-Verapamil Complex
Descriptor: (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Zhao, Y, Huang, G, Wu, J, Yan, N.
Deposit date:2019-03-26
Release date:2019-06-12
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
5YSF
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BU of 5ysf by Molmil
Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophoropentaose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ...
Authors:Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S.
Deposit date:2017-11-14
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua.
J. Biol. Chem., 293, 2018
6SLM
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BU of 6slm by Molmil
Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP
Descriptor: GLYCEROL, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, ...
Authors:Conrady, M, Gogl, G, Cousido-Siah, A, Mitschler, A, Trave, G, Simon, C.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of High-Risk Papillomavirus 31 E6 Oncogenic Protein and Characterization of E6/E6AP/p53 Complex Formation.
J.Virol., 95, 2020
7D85
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BU of 7d85 by Molmil
Crystal structure of anti-ErbB3 Fab ISU104 in complex with human ErbB3 extracellular domain 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-ErbB3 Fab heavy chain, Anti-ErbB3 Fab light chain, ...
Authors:Yoo, Y, Cho, H.S.
Deposit date:2020-10-07
Release date:2021-04-07
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Novel Therapeutic Anti-ErbB3, ISU104 Exhibits Potent Antitumorigenic Activity by Inhibiting Ligand Binding and ErbB3 Heterodimerization.
Mol.Cancer Ther., 20, 2021
5YSE
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BU of 5yse by Molmil
Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophorotetraose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ...
Authors:Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S.
Deposit date:2017-11-14
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua.
J. Biol. Chem., 293, 2018
6FU3
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BU of 6fu3 by Molmil
Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae
Descriptor: CALCIUM ION, HEME C, Protein CcpR
Authors:Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C.
Deposit date:2018-02-26
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae
To Be Published
2ZVU
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BU of 2zvu by Molmil
Crystal structure of rat heme oxygenase-1 in complex with ferrous verdoheme
Descriptor: 5-OXA-PROTOPORPHYRIN IX CONTAINING FE, FORMIC ACID, Heme oxygenase 1
Authors:Sato, H, Sugishima, M, Fukuyama, K, Noguchi, M.
Deposit date:2008-11-21
Release date:2009-02-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of rat haem oxygenase-1 in complex with ferrous verdohaem: presence of a hydrogen-bond network on the distal side
Biochem.J., 419, 2009
4I7R
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BU of 4i7r by Molmil
T4 Lysozyme L99A/M102H with 2-(pyrazolo-1-yl) ethanol bound
Descriptor: 2-(1H-pyrazol-1-yl)ethanol, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
1GQH
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BU of 1gqh by Molmil
Quercetin 2,3-dioxygenase in complex with the inhibitor kojic acid
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-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE, ...
Authors:Steiner, R.A, Dijkstra, B.W.
Deposit date:2001-11-23
Release date:2002-06-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Functional Analysis of the Copper-Dependent Quercetin 2,3-Dioxygenase.1.Ligand-Induced Coordination Changes Probed by X-Ray Crystallography: Inhibition, Ordering Effect and Mechanistic Insights
Biochemistry, 41, 2002
4PUJ
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BU of 4puj by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-03-13
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme.
J.Med.Chem., 57, 2014
8HOC
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BU of 8hoc by Molmil
Cryo-EM structure of ligand histamine-bound Histamine H4 receptor Gi complex
Descriptor: 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Tang, W.Q, Sun, X.Y, Li, F.H, Wang, J.Y.
Deposit date:2022-12-09
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure insights into Histamine H4 receptor activation by an endogenous ligand histamine and agonist imetit
To Be Published
8HN8
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BU of 8hn8 by Molmil
Cryo-EM structure of ligand histamine-bound Histamine H4 receptor Gi complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Tang, W.Q, Sun, X.Y, Li, F.H, Wang, J.Y.
Deposit date:2022-12-07
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure insights into Histamine H4 receptor activation by an endogenous ligand histamine and agonist imetit
To Be Published
1SQ6
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BU of 1sq6 by Molmil
Plasmodium falciparum homolog of Uridine phosphorylase/Purine nucleoside phosphorylase
Descriptor: SULFATE ION, uridine phosphorylase, putative
Authors:Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2004-03-17
Release date:2004-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Plasmodium falciparum purine nucleoside phosphorylase complexed with sulfate and its natural substrate inosine.
Acta Crystallogr.,Sect.D, 61, 2005
3IPT
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BU of 3ipt by Molmil
Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Fenn, T.D, Sigala, P.A, Herschlag, D.
Deposit date:2009-08-18
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Dissecting the paradoxical effects of hydrogen bond mutations in the ketosteroid isomerase oxyanion hole.
Proc.Natl.Acad.Sci.USA, 107, 2010
2G8T
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BU of 2g8t by Molmil
Indole-amidine Complexes with Bovine Trypsin
Descriptor: 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE, CALCIUM ION, Cationic trypsin, ...
Authors:Kline, A.D, Briggs, S.L, Subramaniam, S.
Deposit date:2006-03-03
Release date:2006-09-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Ligand Epitoping By Proton NMR Chemical Shift Differences
To be published
8FUG
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BU of 8fug by Molmil
Alzheimer's disease paired-helical filament in complex with PET tracer GTP-1
Descriptor: (5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole, Microtubule-associated protein tau
Authors:Merz, G.E, Tse, E, Southworth, D.R.
Deposit date:2023-01-17
Release date:2023-06-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Stacked binding of a PET ligand to Alzheimer's tau paired helical filaments.
Nat Commun, 14, 2023
3RC9
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BU of 3rc9 by Molmil
Crystal Structure of the K102A mutant of KijD10, a 3-ketoreductase from Actinomadura kijaniata in complex with TDP-benzene and NADP
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Holden, H.M, Kubiak, R.L.
Deposit date:2011-03-30
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011

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