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9GE1
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BU of 9ge1 by Molmil
Trp-cage fortified Tc5b-Exenatide chimera with disulfide bond cyclization (Ex-4-Tc5bCC) at 321K
Descriptor: Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bCC)
Authors:Horvath, D.
Deposit date:2024-08-06
Release date:2024-09-25
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Influence of Trp-Cage on the Function and Stability of GLP-1R Agonist Exenatide Derivatives.
J.Med.Chem., 67, 2024
9GE9
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BU of 9ge9 by Molmil
Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR) at 277K
Descriptor: Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR)
Authors:Horvath, D.
Deposit date:2024-08-07
Release date:2024-09-25
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Influence of Trp-Cage on the Function and Stability of GLP-1R Agonist Exenatide Derivatives.
J.Med.Chem., 67, 2024
9GEB
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BU of 9geb by Molmil
Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR) at 288K
Descriptor: Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR)
Authors:Horvath, D.
Deposit date:2024-08-07
Release date:2024-09-25
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Influence of Trp-Cage on the Function and Stability of GLP-1R Agonist Exenatide Derivatives.
J.Med.Chem., 67, 2024
9CBL
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BU of 9cbl by Molmil
Cryo-EM structure of epinephrine-bound alpha-2A-adrenergic receptor in complex with heterotrimeric Gi-protein
Descriptor: Endolysin,Alpha-2A adrenergic receptor, 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:Lou, J.S, Su, M, Wang, J, Do, H.N, Miao, Y, Huang, X.Y.
Deposit date:2024-06-19
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Distinct binding conformations of epinephrine with alpha- and beta-adrenergic receptors.
Exp.Mol.Med., 2024
5XAA
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BU of 5xaa by Molmil
Complete structure factors and an atomic model of the calcium pump (SERCA1A) and associated phospholipids in the E2-ALF-(TG) crystals of P21212 symmetry
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
Authors:Norimatsu, Y, Hasegawa, K, Shimizu, N, Toyoshima, C.
Deposit date:2017-03-11
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Protein-phospholipid interplay revealed with crystals of a calcium pump.
Nature, 545, 2017
9IPU
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BU of 9ipu by Molmil
cryo-EM structure of the RNF168(1-193)/UbcH5c-Ub ubiquitylation module bound to H1.0-K63-Ub3 modified chromatosome
Descriptor: DNA (171-MER), E3 ubiquitin-protein ligase RNF168, Histone H1.0, ...
Authors:Ai, H.S, Deng, Z.H, Liu, L.
Deposit date:2024-07-11
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Chemically and Site-specifically Ubiquitylated Linker Histone H1 Facilitates RNF168-Mediated Nucleosomal H2A Ubiquitylation
To Be Published
3KLC
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BU of 3klc by Molmil
Crystal structure of hyperthermophilic nitrilase
Descriptor: ACETIC ACID, BROMIDE ION, Beta ureidopropionase (Beta-alanine synthase), ...
Authors:Raczynska, J, Vorgias, C, Antranikian, G, Rypniewski, W.
Deposit date:2009-11-07
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystallographic analysis of a thermoactive nitrilase.
J.Struct.Biol., 173, 2010
1I00
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BU of 1i00 by Molmil
CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE, TERNARY COMPLEX WITH DUMP AND TOMUDEX
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
Authors:Almog, R.A, Waddling, C.A, Maley, F, Maley, G.F, Van Roey, P.
Deposit date:2001-01-27
Release date:2001-05-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a deletion mutant of human thymidylate synthase Delta (7-29) and its ternary complex with Tomudex and dUMP.
Protein Sci., 10, 2001
7Y27
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BU of 7y27 by Molmil
Cryo-EM structure of the SST-14-bound SSTR2-miniGq-scFv16 complex
Descriptor: CHOLESTEROL, Engineered Guanine nucleotide-binding protein G(q) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Chen, S, Zheng, S.
Deposit date:2022-06-09
Release date:2022-10-19
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Molecular basis for the selective G protein signaling of somatostatin receptors.
Nat.Chem.Biol., 19, 2023
7Y26
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BU of 7y26 by Molmil
Cryo-EM structure of the octreotide-bound SSTR2-miniGq-scFv16 complex
Descriptor: Engineered Guanine nucleotide-binding protein G(q) subunit alpha, 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:Chen, S, Zheng, S.
Deposit date:2022-06-09
Release date:2022-10-19
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis for the selective G protein signaling of somatostatin receptors.
Nat.Chem.Biol., 19, 2023
2FFW
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BU of 2ffw by Molmil
Solution structure of the RBCC/TRIM B-box1 domain of human MID1: B-box with a RING
Descriptor: Midline-1, ZINC ION
Authors:Massiah, M.A, Simmons, B.N, Short, K.M, Cox, T.C.
Deposit date:2005-12-20
Release date:2006-05-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of the RBCC/TRIM B-box1 Domain of Human MID1: B-box with a RING.
J.Mol.Biol., 358, 2006
2HU7
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BU of 2hu7 by Molmil
Binding of inhibitors by Acylaminoacyl peptidase
Descriptor: ACETYL GROUP, Acylamino-acid-releasing enzyme, GLYCEROL, ...
Authors:Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L.
Deposit date:2006-07-26
Release date:2007-05-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
J.Mol.Biol., 368, 2007
9F56
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BU of 9f56 by Molmil
Identification of calcium ions in thermolysin.
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:El Omari, K, Forsyth, I, Wagner, A.
Deposit date:2024-04-28
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Utilizing anomalous signals for element identification in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 2024
6KV3
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BU of 6kv3 by Molmil
Crystal Structure of NAD+ Synthetase from Staphylococcus aureus
Descriptor: NH(3)-dependent NAD(+) synthetase
Authors:Nasrin, S.K, Sandeep, S.K.
Deposit date:2019-09-03
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic and molecular dynamics simulation analysis of NAD synthetase from methicillin resistant Staphylococcus aureus (MRSA).
Int.J.Biol.Macromol., 165, 2020
1I0I
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BU of 1i0i by Molmil
ANALYSIS OF AN INVARIANT ASPARTIC ACID IN HPRTS-GLUTAMINE MUTANT
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ...
Authors:Canyuk, B, Focia, P.J, Eakin, A.E.
Deposit date:2001-01-29
Release date:2002-05-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The role for an invariant aspartic acid in hypoxanthine phosphoribosyltransferases is examined using saturation mutagenesis, functional analysis, and X-ray crystallography.
Biochemistry, 40, 2001
3KWI
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BU of 3kwi by Molmil
X-ray structure of NS1 effector domain W187Y mutant
Descriptor: Non-structural protein 1
Authors:Xia, S, Robertus, J.D.
Deposit date:2009-12-01
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:X-ray structures of NS1 effector domain mutants.
Arch.Biochem.Biophys., 494, 2010
5XA9
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BU of 5xa9 by Molmil
Complete structure factors and an atomic model of the calcium pump (SERCA1A) and associated phospholipids in the E2-ALF-(TG) crystals of C2 symmetry
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
Authors:Norimatsu, Y, Hasegawa, K, Shimizu, N, Toyoshima, C.
Deposit date:2017-03-11
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Protein-phospholipid interplay revealed with crystals of a calcium pump.
Nature, 545, 2017
2HU8
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BU of 2hu8 by Molmil
Binding of inhibitors by Acylaminoacyl peptidase
Descriptor: 2-AMINOBENZOIC ACID, Acylamino-acid-releasing enzyme, GLYCINE, ...
Authors:Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L.
Deposit date:2006-07-26
Release date:2007-05-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
J.Mol.Biol., 368, 2007
1MI5
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BU of 1mi5 by Molmil
The crystal structure of LC13 TcR in complex with HLAB8-EBV peptide complex
Descriptor: Epstein Barr Virus peptide, MHC heavy chain, TcR alpha chain, ...
Authors:Kjer-Nielsen, L, Clements, C.S, Purcell, A.W, Brooks, A.G, Whisstock, J.C, Burrows, S.R, McCluskey, J, Rossjohn, J.
Deposit date:2002-08-21
Release date:2003-02-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Structural Basis for the Selection of Dominant alphabeta T Cell Receptors in Antiviral Immunity
IMMUNITY, 18, 2003
5M0L
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BU of 5m0l by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.465 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
2YB7
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BU of 2yb7 by Molmil
CBM62 in complex with 6-alpha-D-Galactosyl-mannotriose
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ...
Authors:Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, McKee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J.
Deposit date:2011-03-02
Release date:2011-08-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization.
J.Biol.Chem., 286, 2011
4QSI
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BU of 4qsi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-07-04
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
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
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
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:2020-07-29
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

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