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1P2B
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BU of 1p2b by Molmil
Crystal Structure of Glycogen Phosphorylase B in Complex with Maltoheptaose
Descriptor: Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Pinotsis, N, Leonidas, D.D, Chrysina, E.D, Oikonomakos, N.G, Mavridis, I.M.
Deposit date:2003-04-15
Release date:2003-09-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The binding of beta- and gamma-cyclodextrins to glycogen phosphorylase b: Kinetic and crystallographic studies.
Protein Sci., 12, 2003
2Y98
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BU of 2y98 by Molmil
Structure of the mixed-function P450 MycG in complex with mycinamicin IV in P21212 space group
Descriptor: CHLORIDE ION, GLYCEROL, MYCINAMICIN IV, ...
Authors:Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
Deposit date:2011-02-12
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
4NGZ
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BU of 4ngz by Molmil
Previously de-ionized HEW lysozyme crystallized in 0.5 M YbCl3/30% (v/v) glycerol and collected at 125K
Descriptor: CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-03
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
7TH5
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BU of 7th5 by Molmil
Thermus thermophilus methylenetetrahydrofolate reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase, SODIUM ION
Authors:Yamada, K, Koutmos, M.
Deposit date:2022-01-10
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:5-Formyltetrahydrofolate promotes conformational remodeling in a methylenetetrahydrofolate reductase active site and inhibits its activity.
J.Biol.Chem., 299, 2022
2YCT
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BU of 2yct by Molmil
Tyrosine phenol-lyase from Citrobacter freundii in complex with pyridine N-oxide and the quinonoid intermediate formed with L-alanine
Descriptor: (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, PHOSPHATE ION, ...
Authors:Milic, D, Demidkina, T.V, Faleev, N.G, Phillips, R.S, Matkovic-Calogovic, D, Antson, A.A.
Deposit date:2011-03-16
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic Snapshots of Tyrosine Phenol-Lyase Show that Substrate Strain Plays a Role in C-C Bond Cleavage
J.Am.Chem.Soc., 133, 2011
7TH4
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BU of 7th4 by Molmil
T. thermophilus methylenetetrahydrofolate reductase complex with 5-formyltetrahydrofolate
Descriptor: ACETATE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yamada, K, Koutmos, M.
Deposit date:2022-01-10
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:5-Formyltetrahydrofolate promotes conformational remodeling in a methylenetetrahydrofolate reductase active site and inhibits its activity.
J.Biol.Chem., 299, 2022
7RA4
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BU of 7ra4 by Molmil
Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE) in complex with serine
Descriptor: SERINE, Serine acetyltransferase
Authors:Hicks, J.L, Oldham, K.E, Prentice, E.J, Summers, E.L.
Deposit date:2021-06-30
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition.
Biochem.J., 479, 2022
6S9W
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BU of 6s9w by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
1FEL
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BU of 1fel by Molmil
CRYSTALLOGRAPHIC STUDIES ON COMPLEXES BETWEEN RETINOIDS AND PLASMA RETINOL-BINDING PROTEIN
Descriptor: N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE, RETINOL BINDING PROTEIN
Authors:Zanotti, G, Marcello, M, Malpeli, G, Sartori, G, Berni, R.
Deposit date:1994-08-29
Release date:1994-11-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic studies on complexes between retinoids and plasma retinol-binding protein.
J.Biol.Chem., 269, 1994
4DS1
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BU of 4ds1 by Molmil
The Structure of a Yeast Dyn2-Nup159 Complex and the Molecular Basis for the Dynein Light Chain - Nuclear Pore Interaction
Descriptor: Dynein light chain 1, cytoplasmic, Nucleoporin NUP159
Authors:Slep, K.C, Romes, E.M.
Deposit date:2012-02-17
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structure of a yeast Dyn2-Nup159 complex and molecular basis for dynein light chain-nuclear pore interaction.
J.Biol.Chem., 287, 2012
4QUT
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BU of 4qut by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)12
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ...
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-12
Release date:2014-07-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells.
J Mol Cell Biol, 8, 2016
6S9X
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BU of 6s9x by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
2E7D
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BU of 2e7d by Molmil
Crystal structure of a NEAT domain from Staphylococcus aureus
Descriptor: ACETATE ION, GLYCEROL, Hypothetical protein IsdH, ...
Authors:Suenaga, A, Tanaka, Y, Yao, M, Kumagai, I, Tanaka, I, Tsumoto, K.
Deposit date:2007-01-09
Release date:2008-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for multimeric heme complexation through a specific protein-heme interaction: the case of the third neat domain of IsdH from Staphylococcus aureus
J.Biol.Chem., 283, 2008
5EEU
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BU of 5eeu by Molmil
RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 1.31 MGy
Descriptor: (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B.
Deposit date:2015-10-23
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:RNA protects a nucleoprotein complex against radiation damage.
Acta Crystallogr D Struct Biol, 72, 2016
4DO9
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BU of 4do9 by Molmil
Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: stereoselective binding of r-isomer
Descriptor: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, C C G A C C G C G C A T C A G C, CHLORIDE ION, ...
Authors:Batra, V.K.
Deposit date:2012-02-09
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
5K06
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BU of 5k06 by Molmil
Recombinant bovine beta-lactoglobulin with uncleaved N-terminal methionine (rBlgB)
Descriptor: Beta-lactoglobulin, GLYCEROL, MYRISTIC ACID, ...
Authors:Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K.
Deposit date:2016-05-17
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation.
Mol Biotechnol., 58, 2016
1LO8
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BU of 1lo8 by Molmil
X-ray crystal structure of 4-hydroxybenzoyl CoA thioesterase complexed with 4-hydroxybenzyl CoA
Descriptor: 4-HYDROXYBENZYL COENZYME A, 4-hydroxybenzoyl-CoA Thioesterase
Authors:Thoden, J.B, Holden, H.M, Zhuang, Z, Dunaway-Mariano, D.
Deposit date:2002-05-06
Release date:2002-05-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic analyses of inhibitor and substrate complexes of wild-type and mutant 4-hydroxybenzoyl-CoA thioesterase.
J.Biol.Chem., 277, 2002
2YJP
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BU of 2yjp by Molmil
Crystal structure of the solute receptors for L-cysteine of Neisseria gonorrhoeae
Descriptor: 1,2-ETHANEDIOL, CYSTEINE, PUTATIVE ABC TRANSPORTER, ...
Authors:Bulut, H, Moniot, S, Scheffel, F, Gathmann, S, Licht, A, Saenger, W, Schneider, E.
Deposit date:2011-05-23
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria Gonorrhoeae.
J.Mol.Biol., 415, 2012
7LVT
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BU of 7lvt by Molmil
Structure of full-length GluK1 with L-Glu
Descriptor: Isoform Glur5-2 of Glutamate receptor ionotropic, kainate 1
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-02-26
Release date:2021-11-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural and compositional diversity in the kainate receptor family.
Cell Rep, 37, 2021
5K1X
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BU of 5k1x by Molmil
Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant Y306A/N346A/C348A/Y384F in complex with AMPPNP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Weber, A.
Deposit date:2016-05-18
Release date:2016-10-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Genetically encoded fluorophenylalanines enable insights into the recognition of lysine trimethylation by an epigenetic reader.
Chem.Commun.(Camb.), 52, 2016
7MP5
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BU of 7mp5 by Molmil
Autoinhibited neurofibrobmin
Descriptor: Isoform I of Neurofibromin
Authors:Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
Deposit date:2021-05-04
Release date:2021-12-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
7MP6
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BU of 7mp6 by Molmil
Neurofibromin homodimer
Descriptor: Isoform I of Neurofibromin
Authors:Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
Deposit date:2021-05-04
Release date:2021-12-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6.25 Å)
Cite:The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
4LOY
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BU of 4loy by Molmil
Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-2, ...
Authors:Stehlin-Gaon, C, Bocskei, Z.
Deposit date:2013-07-14
Release date:2014-06-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
7MOC
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BU of 7moc by Molmil
Neurofibromin core
Descriptor: Isoform I of Neurofibromin
Authors:Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
Deposit date:2021-05-01
Release date:2021-12-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.56 Å)
Cite:The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
1KYA
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BU of 1kya by Molmil
ACTIVE LACCASE FROM TRAMETES VERSICOLOR COMPLEXED WITH 2,5-XYLIDINE
Descriptor: 2,5-DIMETHYLANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Bertrand, T, Jolivalt, C, Briozzo, P, Caminade, E, Joly, N, Madzak, C, Mougin, C.
Deposit date:2002-02-04
Release date:2002-06-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a four-copper laccase complexed with an arylamine: insights into substrate recognition and correlation with kinetics.
Biochemistry, 41, 2002

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