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2LXZ
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Solution Structure of the Antimicrobial Peptide Human Defensin 5
Descriptor: Defensin-5
Authors:Wommack, A.J, Robson, S.A, Wanniarahchi, Y.A, Wan, A, Turner, C.J, Nolan, E.M.
Deposit date:2012-09-10
Release date:2012-11-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR solution structure and condition-dependent oligomerization of the antimicrobial Peptide human defensin 5.
Biochemistry, 51, 2012
4MCS
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BU of 4mcs by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) His475Tyr variant in complex with glutamic 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, ASPARTIC ACID, ...
Authors:Ptacek, J, Barinka, C, Sacha, P, Navratil, M.
Deposit date:2013-08-21
Release date:2014-06-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
4MCP
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A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyl-gamma-L-glutamic acid (pteroyldi-gamma-L-glutamic 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, CALCIUM ION, ...
Authors:Navratil, M, Barinka, C, Lubkowski, J.
Deposit date:2013-08-21
Release date:2014-06-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
1ZFO
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BU of 1zfo by Molmil
AMINO-TERMINAL LIM-DOMAIN PEPTIDE OF LASP-1, NMR
Descriptor: LASP-1, ZINC ION
Authors:Hammarstrom, A, Berndt, K.D, Sillard, R, Adermann, K, Otting, G.
Deposit date:1996-05-06
Release date:1996-11-08
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of a naturally-occurring zinc-peptide complex demonstrates that the N-terminal zinc-binding module of the Lasp-1 LIM domain is an independent folding unit.
Biochemistry, 35, 1996
4JBT
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BU of 4jbt by Molmil
The 2.2 A crystal structure of CYP154C5 from Nocardia farcinica in complex with androstenedione
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 monooxygenase, FORMIC ACID, ...
Authors:Herzog, K, Hoffmann, K.M.
Deposit date:2013-02-20
Release date:2014-03-05
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme-substrate complex structures of CYP154C5 shed light on its mode of highly selective steroid hydroxylation.
Acta Crystallogr.,Sect.D, 70, 2014
4C66
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Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains
Descriptor: 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O.
Deposit date:2013-09-17
Release date:2013-10-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.
J.Med.Chem., 56, 2013
4MCQ
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A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyldi-gamma-L-glutamic acid (pteroyltri-gamma-L-glutamic 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, CALCIUM ION, ...
Authors:Navratil, M, Barinka, C.
Deposit date:2013-08-21
Release date:2014-06-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
2OZ7
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BU of 2oz7 by Molmil
Crystal structure of the human androgen receptor T877A mutant ligand-binding domain with cyproterone acetate
Descriptor: Androgen receptor, CYPROTERONE ACETATE
Authors:Bohl, C.E, Wu, Z, Miller, D.D, Bell, C.E, Dalton, J.T.
Deposit date:2007-02-25
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the T877A human androgen receptor ligand-binding domain complexed to cyproterone acetate provides insight for ligand-induced conformational changes and structure-based drug design.
J.Biol.Chem., 282, 2007
4MCR
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BU of 4mcr by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyltri-gamma-L-glutamic acid (pteroyltetra-gamma-L-glutamic 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, CALCIUM ION, ...
Authors:Navratil, M, Barinka, C, Lubkowski, J.
Deposit date:2013-08-21
Release date:2014-06-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
1Y9O
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BU of 1y9o by Molmil
1H NMR Structure of Acylphosphatase from the hyperthermophile Sulfolobus Solfataricus
Descriptor: Acylphosphatase
Authors:Corazza, A, Rosano, C, Pagano, K, Alverdi, V, Esposito, G, Capanni, C, Bemporad, F, Plakoutsi, G, Stefani, M, Chiti, F, Zuccotti, S, Bolognesi, M, Viglino, P.
Deposit date:2004-12-16
Release date:2005-11-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure, conformational stability, and enzymatic properties of acylphosphatase from the hyperthermophile Sulfolobus solfataricus
Proteins, 62, 2006
1YDE
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BU of 1yde by Molmil
Crystal Structure of Human Retinal Short-Chain Dehydrogenase/Reductase 3
Descriptor: Retinal dehydrogenase/reductase 3
Authors:Lukacik, P, Bunkozci, G, Kavanagh, K, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2004-12-23
Release date:2005-01-18
Last modified:2012-03-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biochemical characterization of human orphan DHRS10 reveals a novel cytosolic enzyme with steroid dehydrogenase activity.
Biochem.J., 402, 2007
2AXN
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BU of 2axn by Molmil
Crystal structure of the human inducible form 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase
Descriptor: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3 (6PF-2-K/Fru- 2,6-P2ASE brain/placenta-type isozyme) (iPFK-2) [Includes: 6- phosphofructo-2-kinase (EC 2.7.1.105); Fructose-2,6-bisphosphatase (EC 3.1.3.46)], ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Kim, S.G, Manes, N.P, El-Maghrabi, M.R, Lee, Y.H.
Deposit date:2005-09-05
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the hypoxia-inducible form of 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFKFB3): a possible new target for cancer therapy.
J.Biol.Chem., 281, 2006
3TQ2
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BU of 3tq2 by Molmil
Merohedral twinning in protein crystals revealed a new synthetic three helix bundle motif
Descriptor: KE1, SULFATE ION
Authors:Geremia, S, De March, M.
Deposit date:2011-09-09
Release date:2012-09-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Analysis of the crystal structure of a parallel three-stranded coiled coil.
Proteins, 91, 2023
8AXW
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BU of 8axw by Molmil
The structure of mouse AsterC (GramD1c) with Ezetimibe
Descriptor: (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ...
Authors:Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R.
Deposit date:2022-09-01
Release date:2023-09-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake.
Science, 382, 2023
7XV6
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BU of 7xv6 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain with C-terminal extension (DBD-CTE) Homodimer Bound to DR1 Response Element
Descriptor: DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*A)-3'), NR2C2 protein, ...
Authors:Liu, Y, Chen, Z.
Deposit date:2022-05-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
2W1B
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BU of 2w1b by Molmil
The structure of the efflux pump AcrB in complex with bile acid
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACRIFLAVIN RESISTANCE PROTEIN B
Authors:Drew, D, Klepsch, M.M, Newstead, S, Flaig, R, De Gier, J.W, Iwata, S, Beis, K.
Deposit date:2008-10-17
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:The Structure of the Efflux Pump Acrb in Complex with Bile Acid.
Mol.Membr.Biol., 25, 2008
2W6V
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BU of 2w6v by Molmil
Structure of Human deoxy Hemoglobin A in complex with Xenon
Descriptor: GLYCEROL, HEMOGLOBIN SUBUNIT ALPHA, HEMOGLOBIN SUBUNIT BETA, ...
Authors:Miele, A.E, Draghi, F, Sciara, G, Johnson, K.A, Renzi, F, Vallone, B, Brunori, M, Savino, C.
Deposit date:2008-12-19
Release date:2009-04-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pattern of Cavities in Globins: The Case of Human Hemoglobin.
Biopolymers, 91, 2009
2W72
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DEOXYGENATED STRUCTURE OF A DISTAL SITE HEMOGLOBIN MUTANT PLUS XE
Descriptor: HUMAN HEMOGLOBIN A, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Miele, A.E, Draghi, F, Sciara, G, Johnson, K.A, Renzi, F, Vallone, B, Brunori, M, Savino, C.
Deposit date:2008-12-19
Release date:2009-04-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Pattern of Cavities in Globins: The Case of Human Hemoglobin.
Biopolymers, 91, 2009
8CC7
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BU of 8cc7 by Molmil
Mouse serotonin 5-HT3A receptor in complex with PZ-1939
Descriptor: 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2023-01-26
Release date:2023-10-11
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Superiority of the Triple-Acting 5-HT 6 R/5-HT 3 R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT 6 R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats.
J.Med.Chem., 66, 2023
8CC6
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BU of 8cc6 by Molmil
Mouse serotonin 5-HT3A receptor in complex with PZ-1922
Descriptor: 1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2023-01-26
Release date:2023-10-11
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Superiority of the Triple-Acting 5-HT 6 R/5-HT 3 R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT 6 R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats.
J.Med.Chem., 66, 2023
1MY3
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BU of 1my3 by Molmil
crystal structure of glutamate receptor ligand-binding core in complex with bromo-willardiine in the Zn crystal form
Descriptor: 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION
Authors:Jin, R, Gouaux, E.
Deposit date:2002-10-03
Release date:2003-06-10
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
1MY0
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crystal titration experiments (AMPA co-crystals soaked in 100 nM BrW)
Descriptor: GLUTAMATE RECEPTOR 2, ZINC ION
Authors:Jin, R, Gouaux, E.
Deposit date:2002-10-03
Release date:2003-06-10
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
1MXU
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CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) in complex with bromo-willardiine (Control for the crystal titration experiments)
Descriptor: 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION
Authors:Jin, R, Gouaux, E.
Deposit date:2002-10-03
Release date:2003-06-10
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
1MXY
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crystal titration experiments (AMPA co-crystals soaked in 10 uM BrW)
Descriptor: GLUTAMATE RECEPTOR 2, ZINC ION
Authors:Jin, R, Gouaux, E.
Deposit date:2002-10-03
Release date:2003-06-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Probing the function, conformational plasticity, and dimer-dimer contacts of the GluR2 ligand-binding core: studies of 5-substituted willardiines and GluR2 S1S2 in the crystal.
Biochemistry, 42, 2003
1MXW
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crystal titration experiments (AMPA co-crystals soaked in 1 mM BrW)
Descriptor: GLUTAMATE RECEPTOR 2, ZINC ION
Authors:Jin, R, Gouaux, E.
Deposit date:2002-10-03
Release date:2003-06-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the function, conformational plasticity, and dimer-dimer contacts of the GluR2 ligand-binding core: studies of 5-substituted willardiines and GluR2 S1S2 in the crystal.
Biochemistry, 42, 2003

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