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6XOX
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BU of 6xox by Molmil
cryo-EM of human GLP-1R bound to non-peptide agonist LY3502970
Descriptor: 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, Alpha subunit of Gs with N-terminus swapped with equivalent residues in Gi,Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas, Glucagon-like peptide 1 receptor, ...
Authors:Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
Deposit date:2020-07-07
Release date:2020-11-18
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for GLP-1 receptor activation by LY3502970, an orally active nonpeptide agonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
8VCO
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BU of 8vco by Molmil
Crystal structure of rMcL-1 in complex with N-acetyl-D-galactosamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Hernandez-Santoyo, A, Loera-Rubalcava, J.
Deposit date:2023-12-14
Release date:2024-12-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
3ZO4
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BU of 3zo4 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
3EIG
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BU of 3eig by Molmil
Crystal structure of a methotrexate-resistant mutant of human dihydrofolate reductase
Descriptor: CADMIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2008-09-15
Release date:2009-05-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Multiple conformers in active site of human dihydrofolate reductase F31R/Q35E double mutant suggest structural basis for methotrexate resistance.
J.Biol.Chem., 284, 2009
8VCK
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BU of 8vck by Molmil
Galactose-binding lectin from Mytilus californianus, Isoform 1 (rMcL-1)
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Hernandez-Santoyo, A, Loera-Rubalcava, J.
Deposit date:2023-12-14
Release date:2024-12-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
8VCQ
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BU of 8vcq by Molmil
Crystal structure of the oligomeric rMcL-1 in complex with raffinose
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Hernandez-Santoyo, A, Loera-Rubalcava, J.
Deposit date:2023-12-14
Release date:2024-12-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
8VCS
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BU of 8vcs by Molmil
Crystal structure of the oligomeric rMcL-1 in complex with lactose
Descriptor: CALCIUM ION, Galactose-binding lectin, beta-D-galactopyranose, ...
Authors:Hernandez-Santoyo, A, Loera-Rubalcava, J.
Deposit date:2023-12-14
Release date:2024-12-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
8VCP
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BU of 8vcp by Molmil
Crystal structure of dimeric rMcL-1 in complex with raffinose
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Hernandez-Santoyo, A, Loera-Rubalcava, J.
Deposit date:2023-12-14
Release date:2024-12-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
8VCM
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BU of 8vcm by Molmil
Crystal structure of rMcL-1 in complex with galactose
Descriptor: Galactose-binding lectin, MAGNESIUM ION, alpha-D-galactopyranose
Authors:Hernandez-Santoyo, A, Loera-Rubalcava, J.
Deposit date:2023-12-14
Release date:2024-12-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
8VCU
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BU of 8vcu by Molmil
Crystal structure of the oligomeric rMcL-1 in complex with lactulose
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Hernandez-Santoyo, A, Loera-Rubalcava, J.
Deposit date:2023-12-14
Release date:2024-12-18
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A mytilectin from Mytilus californianus: Study of its unique galactoside interactions, oligomerization patterns, and antifungal activity.
Int.J.Biol.Macromol., 308, 2025
4NX2
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BU of 4nx2 by Molmil
Crystal structure of DCYRS complexed with DCY
Descriptor: 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase
Authors:Wang, J, Gong, W, Li, J, Gao, F, Li, H.
Deposit date:2013-12-08
Release date:2014-09-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
6XJK
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BU of 6xjk by Molmil
JAK2 JH2 in complex with JAK067
Descriptor: 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide, Tyrosine-protein kinase JAK2
Authors:Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L.
Deposit date:2020-06-24
Release date:2020-11-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.023508 Å)
Cite:Explicit Representation of Cation-pi Interactions in Force Fields with 1/r4 Nonbonded Terms.
J Chem Theory Comput, 16, 2020
9G7E
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BU of 9g7e by Molmil
Crystal structure of ASGPR with bound guanosine
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, GLYCEROL, ...
Authors:Schreuder, H.A, Hofmeister, A.
Deposit date:2024-07-20
Release date:2025-03-19
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Trivalent siRNA-Conjugates with Guanosine as ASGPR-Binder Show Potent Knock-Down In Vivo.
J.Med.Chem., 68, 2025
9G76
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BU of 9g76 by Molmil
Crystal structure of ASGPR with bound GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, Asialoglycoprotein receptor 1, ...
Authors:Schreuder, H.A, Hofmeister, A.
Deposit date:2024-07-19
Release date:2025-03-19
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Trivalent siRNA-Conjugates with Guanosine as ASGPR-Binder Show Potent Knock-Down In Vivo.
J.Med.Chem., 68, 2025
4R63
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BU of 4r63 by Molmil
Binary complex crystal structure of R258A mutant of DNA polymerase Beta
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Batra, V.K, Beard, W.A, Wilson, S.H.
Deposit date:2014-08-22
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
4NR9
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BU of 4nr9 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with acetylated lysine
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N(6)-ACETYLLYSINE
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
4R9T
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BU of 4r9t by Molmil
L-ficolin complexed to sulphates
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Laffly, E, Lacroix, M, Martin, L, Vassal-Stermann, E, Thielens, N, Gaboriaud, C.
Deposit date:2014-09-08
Release date:2014-11-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Human ficolin-2 recognition versatility extended: An update on the binding of ficolin-2 to sulfated/phosphated carbohydrates.
Febs Lett., 588, 2014
1A97
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BU of 1a97 by Molmil
XPRTASE FROM E. COLI COMPLEXED WITH GMP
Descriptor: BORIC ACID, GUANOSINE-5'-MONOPHOSPHATE, XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE
Authors:Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L.
Deposit date:1998-04-16
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
3EAX
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BU of 3eax by Molmil
Crystal structure PTP1B complex with small molecule compound LZP-6
Descriptor: 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}, Tyrosine-protein phosphatase non-receptor type 1
Authors:Zhang, Z.-Y, Liu, S, Zhang, L.-F, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q.
Deposit date:2008-08-26
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008
4R65
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BU of 4r65 by Molmil
Ternary complex crystal structure of R258A mutant of DNA polymerase Beta
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Batra, V.K, Beard, W.A, Wilson, S.H.
Deposit date:2014-08-22
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
3M5Q
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BU of 3m5q by Molmil
0.93 A Structure of Manganese-Bound Manganese Peroxidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Sundaramoorthy, M, Gold, M.H, Poulos, T.L.
Deposit date:2010-03-12
Release date:2010-04-14
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Ultrahigh (0.93A) resolution structure of manganese peroxidase from Phanerochaete chrysosporium: implications for the catalytic mechanism.
J.Inorg.Biochem., 104, 2010
7MIR
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BU of 7mir by Molmil
Cryo-EM structure of SidJ-SdeA-CaM reaction intermediate complex
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Osinski, A, Black, M.H, Pawlowski, K, Chen, Z, Li, Y, Tagliabracci, V.S.
Deposit date:2021-04-17
Release date:2021-08-18
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural and mechanistic basis for protein glutamylation by the kinase fold.
Mol.Cell, 81, 2021
7MIS
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BU of 7mis by Molmil
Cryo-EM structure of SidJ-SdeC-CaM reaction intermediate complex
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Osinski, A, Black, M.H, Pawlowski, K, Chen, Z, Li, Y, Tagliabracci, V.S.
Deposit date:2021-04-17
Release date:2021-08-18
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural and mechanistic basis for protein glutamylation by the kinase fold.
Mol.Cell, 81, 2021
8CGN
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BU of 8cgn by Molmil
Non-rotated 80S S. cerevisiae ribosome with ligands
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G.
Deposit date:2023-02-06
Release date:2023-09-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.28 Å)
Cite:mRNA reading frame maintenance during eukaryotic ribosome translocation.
Nature, 625, 2024
4A2H
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BU of 4a2h by Molmil
Crystal Structure of Laccase from Coriolopsis gallica pH 7.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:De La Mora, E, Valderrama, B, Horjales, E, Rudino-Pinera, E.
Deposit date:2011-09-27
Release date:2011-10-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Changes Caused by Radiation-Induced Reduction and Radiolysis: The Effect of X-Ray Absorbed Dose in a Fungal Multicopper Oxidase
Acta Crystallogr.,Sect.D, 68, 2012

238582

数据于2025-07-09公开中

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