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2Q2C
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Crystal structures of the arginine-, lysine-, histidine-binding protein ArtJ from the thermophilic bacterium Geobacillus stearothermophilus
Descriptor: ArtJ, GLYCEROL, HISTIDINE, ...
Authors:Vahedi-Faridi, A, Scheffel, F, Eckey, V, Saenger, W, Schneider, E.
Deposit date:2007-05-28
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures and mutational analysis of the arginine-, lysine-, histidine-binding protein ArtJ from Geobacillus stearothermophilus. Implications for interactions of ArtJ with its cognate ATP-binding cassette transporter, Art(MP)2
J.Mol.Biol., 375, 2008
1EBC
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BU of 1ebc by Molmil
SPERM WHALE MET-MYOGLOBIN:CYANIDE COMPLEX
Descriptor: CYANIDE ION, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Rosano, C, Ascenzi, P, Rizzi, M, Losso, R, Bolognesi, M.
Deposit date:1999-03-04
Release date:1999-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyanide binding to Lucina pectinata hemoglobin I and to sperm whale myoglobin: an x-ray crystallographic study.
Biophys.J., 77, 1999
6GE7
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BU of 6ge7 by Molmil
Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
Descriptor: Beta-lactoglobulin, nonadecanoic acid
Authors:Kontopidis, G, Rovoli, M.
Deposit date:2018-04-25
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
3JXF
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BU of 3jxf by Molmil
CA-like domain of human PTPRZ
Descriptor: Receptor-type tyrosine-protein phosphatase zeta
Authors:Bouyain, S.
Deposit date:2009-09-19
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
2Y46
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BU of 2y46 by Molmil
Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group
Descriptor: BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ...
Authors:Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
Deposit date:2011-01-05
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
2Y5N
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Structure of the mixed-function P450 MycG in complex with mycinamicin V in P21 space group
Descriptor: GLYCEROL, MAGNESIUM ION, MYCINAMICIN V, ...
Authors:Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
Deposit date:2011-01-15
Release date:2012-02-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
6LY3
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BU of 6ly3 by Molmil
PylRS C-terminus domain mutant bound with 3-Benzothienyl-L-alanine and AMPNP
Descriptor: 3-(1-benzothiophen-3-yl)-L-alanine, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Weng, J.H, Tsai, M.D, Wang, Y.S.
Deposit date:2020-02-13
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89590144 Å)
Cite:Probing the Active Site of Deubiquitinase USP30 with Noncanonical Tryptophan Analogues.
Biochemistry, 59, 2020
3GQF
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Structural and Biophysical Properties of the Pathogenic SOD1 Variant H46R/H48Q
Descriptor: CALCIUM ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Winkler, D.D, Schuermann, J.P, Hart, P.J.
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biophysical properties of the pathogenic SOD1 variant H46R/H48Q.
Biochemistry, 48, 2009
5Q0E
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5KZB
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BU of 5kzb by Molmil
Crystal structure of the Rous sarcoma virus matrix protein (aa 2-102). Space group I4122
Descriptor: Virus Matrix Protein
Authors:Kingston, R.L, Chan, J, Vogt, V.M.
Deposit date:2016-07-24
Release date:2017-07-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties.
Biophys. J., 113, 2017
1IWY
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Crystal Structure Analysis of Human lysozyme at 170K.
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Joti, Y, Nakasako, M, Kidera, A, Go, N.
Deposit date:2002-06-03
Release date:2002-09-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors.
Acta Crystallogr.,Sect.D, 58, 2002
4TVR
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BU of 4tvr by Molmil
Tandem Tudor and PHD domains of UHRF2
Descriptor: E3 ubiquitin-protein ligase UHRF2, UNKNOWN ATOM OR ION, ZINC ION
Authors:Walker, J.R, Dong, A, Zhang, Q, Ong, M, Duan, S, Li, Y, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure of the Tandem Tudor and PHD domains of UHRF2
To be published
2H10
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BU of 2h10 by Molmil
Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to tazobactam
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM INTERMEDIATE
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-15
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Biochemistry, 45, 2006
1J73
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BU of 1j73 by Molmil
Crystal structure of an unstable insulin analog with native activity.
Descriptor: ZINC ION, insulin a, insulin b
Authors:Wan, Z, Zhao, M, Nakagawa, S, Jia, W, Weiss, M.A.
Deposit date:2001-05-15
Release date:2001-05-30
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
1S9J
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BU of 1s9j by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
Descriptor: 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A.
Deposit date:2004-02-04
Release date:2004-11-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Nat.Struct.Mol.Biol., 11, 2004
2H0Y
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BU of 2h0y by Molmil
Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to sulbactam
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ETHANESULFONIC ACID, ...
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-15
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Biochemistry, 45, 2006
2KCC
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BU of 2kcc by Molmil
Solution Structure of biotinoyl domain from human acetyl-CoA carboxylase 2
Descriptor: Acetyl-CoA carboxylase 2
Authors:Lee, C, Cheong, H, Ryu, K, Lee, J, Lee, W, Jeon, Y, Cheong, C.
Deposit date:2008-12-19
Release date:2009-02-17
Last modified:2023-09-27
Method:SOLUTION NMR
Cite:Biotinoyl domain of human acetyl-CoA carboxylase: Structural insights into the carboxyl transfer mechanism.
Proteins, 72, 2008
4ZQC
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BU of 4zqc by Molmil
Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution.
Descriptor: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2015-05-08
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
1IKQ
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BU of 1ikq by Molmil
Pseudomonas Aeruginosa Exotoxin A, wild type
Descriptor: CHLORIDE ION, EXOTOXIN A, SODIUM ION
Authors:McKay, D.B, Wedekind, J.E, Trame, C.B.
Deposit date:2001-05-04
Release date:2001-12-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A and its Implications for the Molecular Mechanism of Toxicity
J.Mol.Biol., 314, 2001
4U74
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BU of 4u74 by Molmil
Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A mutant)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ...
Authors:Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y.
Deposit date:2014-07-30
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
3JVV
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BU of 3jvv by Molmil
Crystal Structure of P. aeruginosa PilT with bound AMP-PCP
Descriptor: CITRIC ACID, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Misic, A.M, Satyshur, K.A, Forest, K.T.
Deposit date:2009-09-17
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:P. aeruginosa PilT structures with and without nucleotide reveal a dynamic type IV pilus retraction motor.
J.Mol.Biol., 400, 2010
1IWH
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BU of 1iwh by Molmil
Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution: A Novel Allosteric Binding Site in R-State Hemoglobin
Descriptor: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, CARBON MONOXIDE, Hemoglobin alpha chain, ...
Authors:Shibayama, N, Miura, S, Tame, J.R.H, Yonetani, T, Park, S.-Y.
Deposit date:2002-05-15
Release date:2002-10-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Horse Carbonmonoxyhemoglobin-Bezafibrate Complex at 1.55A Resolution. A Novel Allosteric Binding Site in R-State Hemoglobin
J.BIOL.CHEM., 277, 2002
1IWT
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BU of 1iwt by Molmil
Crystal Structure Analysis of Human lysozyme at 113K.
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Joti, Y, Nakasako, M, Kidera, A, Go, N.
Deposit date:2002-06-03
Release date:2002-09-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors.
Acta Crystallogr.,Sect.D, 58, 2002
1CW4
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BU of 1cw4 by Molmil
CRYSTAL STRUCTURE OF K230M ISOCITRATE DEHYDROGENASE IN COMPLEX WITH ALPHA-KETOGLUTARATE
Descriptor: 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MANGANESE (II) ION, ...
Authors:Stroud, M.R, Finer-Moore, J.
Deposit date:1999-08-25
Release date:1999-09-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000
1D6G
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MOLECULAR COMPLEX OF CHOLECYSTOKININ-8 AND N-TERMINUS OF THE CHOLECYSTOKININ A RECEPTOR BY NMR SPECTROSCOPY
Descriptor: cholecystokinin type a receptor, cholecystokinin-8
Authors:Pellegrini, M, Mierke, D.F.
Deposit date:1999-10-13
Release date:1999-11-17
Last modified:2021-07-07
Method:SOLUTION NMR
Cite:Molecular complex of cholecystokinin-8 and N-terminus of the cholecystokinin A receptor by NMR spectroscopy.
Biochemistry, 38, 1999

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