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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
5F3X
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BU of 5f3x by Molmil
Crystal structure of Harmonin NPDZ1 in complex with ANKS4B SAM-PBM
Descriptor: Ankyrin repeat and SAM domain-containing protein 4B, CHLORIDE ION, Harmonin
Authors:Li, J, He, Y, Lu, Q, Zhang, M.
Deposit date:2015-12-03
Release date:2016-03-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Mechanistic Basis of Organization of the Harmonin/USH1C-Mediated Brush Border Microvilli Tip-Link Complex
Dev.Cell, 36, 2016
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
4MCQ
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BU of 4mcq by Molmil
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
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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BU of 4mcp by Molmil
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
2JOD
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BU of 2jod by Molmil
Pac1-Rshort N-terminal EC domain Pacap(6-38) complex
Descriptor: Pituitary adenylate cyclase-activating polypeptide, Pituitary adenylate cyclase-activating polypeptide type I receptor
Authors:Olejniczak, E.T, Sun, C, Song, D, Davis-Taber, R.A, Barrett, L.W, Scott, V.E, Richardson, P.L, Pereda-lopez, A, Uchic, M.E, Solomon, L.R, Lake, M.R, Walter, K.A, Hajduk, P.J.
Deposit date:2007-03-07
Release date:2007-05-22
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2LXZ
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BU of 2lxz by Molmil
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
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
4C67
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BU of 4c67 by Molmil
Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains
Descriptor: 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, 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 (1.55 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
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
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
4C66
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BU of 4c66 by Molmil
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
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
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
2W72
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BU of 2w72 by Molmil
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
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
2YZ4
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BU of 2yz4 by Molmil
The neutron structure of concanavalin A at 2.2 Angstroms
Descriptor: CALCIUM ION, Concanavalin A, MANGANESE (II) ION
Authors:Ahmed, H.U, Blakeley, M.P, Cianci, M, Hubbard, J.A, Helliwell, J.R.
Deposit date:2007-05-02
Release date:2008-02-05
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:The determination of protonation states in proteins.
Acta Crystallogr.,Sect.D, 63, 2007
4ZV6
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BU of 4zv6 by Molmil
Crystal structure of the artificial alpharep-7 octarellinV.1 complex
Descriptor: AlphaRep-7, Octarellin V.1
Authors:Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C.
Deposit date:2015-05-18
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
6DM8
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BU of 6dm8 by Molmil
Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors
Descriptor: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog - MBP chimera, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhao, B.
Deposit date:2018-06-04
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors.
Biochemistry, 57, 2018
7TJC
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BU of 7tjc by Molmil
VHH Chl-B2 in complex with Chloramphenicol
Descriptor: CHLORAMPHENICOL, GLYCEROL, VHH-Chl-B2
Authors:Nordeen, S.A, Schwartz, T.U.
Deposit date:2022-01-16
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure and specificity of an anti-chloramphenicol single domain antibody for detection of amphenicol residues.
Protein Sci., 31, 2022
8FTT
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BU of 8ftt by Molmil
Crystal structure of a glycosylase specific nanobody
Descriptor: Anti-NEIL1 Nanobody, SULFATE ION
Authors:Thompson, M.K, Prakash, A.
Deposit date:2023-01-13
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Deciphering the orthorhombic crystal structure of a novel NEIL1 nanobody with pseudo-merohedral twinning.
Biorxiv, 2023

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