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3GYD
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BU of 3gyd by Molmil
Crystal structure of a cyclic nucleotide-binding domain (mfla_1926) from methylobacillus flagellatus kt at 1.79 A resolution
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Cyclic nucleotide-binding domain, GLYCEROL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-03
Release date:2009-04-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of cyclic nucleotide-binding domain (YP_546034.1) from Methylobacillus flagellatus KT at 1.79 A resolution
To be published
3GYT
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BU of 3gyt by Molmil
Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4
Descriptor: (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1
Authors:Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J.
Deposit date:2009-04-05
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes.
Proc.Natl.Acad.Sci.USA, 106, 2009
4OPW
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BU of 4opw by Molmil
Crystal structure of a putative adhesin (PARMER_02777) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution
Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-02-06
Release date:2014-04-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a putative adhesin (PARMER_02777) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution
To be published
4OL4
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BU of 4ol4 by Molmil
Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) from Mycobacterium tuberculosis
Descriptor: Proline-rich 28 kDa antigen
Authors:Kundu, P, Biswas, R, Mukherjee, S, Reinhard, L, Mueller-dieckmann, J, Weiss, M.S, Das, A.K.
Deposit date:2014-01-23
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28
J.Biol.Chem., 291, 2016
1W7V
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BU of 1w7v by Molmil
ZnMg substituted aminopeptidase P from E. coli
Descriptor: CHLORIDE ION, MAGNESIUM ION, PEPTIDE VAL-PRO-LEU, ...
Authors:Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
Deposit date:2004-09-13
Release date:2005-09-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center.
Biochemistry, 44, 2005
4UYM
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BU of 4uym by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with voriconazole
Descriptor: 14-ALPHA STEROL DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2014-09-02
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
J.Biol.Chem., 290, 2015
3H0G
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BU of 3h0g by Molmil
RNA Polymerase II from Schizosaccharomyces pombe
Descriptor: DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Spahr, H, Calero, G, Bushnell, D.A, Kornberg, R.D.
Deposit date:2009-04-09
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Schizosacharomyces pombe RNA polymerase II at 3.6-A resolution.
Proc.Natl.Acad.Sci.USA, 106, 2009
4ONS
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BU of 4ons by Molmil
Structural and thermodynamic characterization of cadherin-beta-catenin-alpha-catenin complex formation
Descriptor: Catenin alpha-2, Catenin beta-1
Authors:Pokutta, S, Choi, H.-J, Ahlsen, G, Hansen, S.D, Weis, W.I.
Deposit date:2014-01-29
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Thermodynamic Characterization of Cadherin beta-Catenin alpha-Catenin Complex Formation.
J.Biol.Chem., 289, 2014
3H3Z
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BU of 3h3z by Molmil
Crystal structure of a putative cyclic nucleotide binding protein (spoa0323) from ruegeria pomeroyi dss-3 at 2.35 A resolution
Descriptor: CHLORIDE ION, Cyclic nucleotide-binding protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-17
Release date:2009-05-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of PUTATIVE CAMP-BINDING REGULATORY PROTEIN (YP_165150.1) from SILICIBACTER POMEROYI DSS-3 at 2.35 A resolution
To be published
1WAQ
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BU of 1waq by Molmil
Crystal structure of human Growth and Differentiation Factor 5 (GDF-5)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GROWTH/DIFFERENTIATION FACTOR 5
Authors:Mueller, T.D, Nickel, J, Sebald, W.
Deposit date:2004-10-27
Release date:2005-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A Single Residue of Gdf-5 Defines Binding Specificity to Bmp Receptor Ib.
J.Mol.Biol., 349, 2005
4OUN
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BU of 4oun by Molmil
Crystal Structure of Mini-ribonuclease 3 from Bacillus subtilis
Descriptor: Mini-ribonuclease 3
Authors:Chojnowski, G, Czarnecka, J, Nowak, E, Pianka, D, Glow, D, Sabala, I, Skowronek, K, Nowotny, M, Bujnicki, J.M.
Deposit date:2014-02-18
Release date:2015-02-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sequence-specific cleavage of dsRNA by Mini-III RNase
Nucleic Acids Res., 43, 2015
3H4X
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BU of 3h4x by Molmil
Structure of a Ca+2 dependent Phosphatidylinositol-specific phospholipase C (PI-PLC) Enzyme from Streptomyces antibioticus
Descriptor: ACETATE ION, ACETYL GROUP, CHLORIDE ION, ...
Authors:Jackson, M.R, Selby, T.L.
Deposit date:2009-04-21
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal Structure of a Ca2+-dependent PI-PLC
To be Published
4OQ7
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BU of 4oq7 by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2014-02-07
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
3H9F
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BU of 3h9f by Molmil
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand
Descriptor: 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION
Authors:Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-04-30
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
1W91
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BU of 1w91 by Molmil
crystal structure of 1,4-BETA-D-XYLAN XYLOHYDROLASE solve using anomalous signal from Seleniomethionine
Descriptor: BETA-XYLOSIDASE
Authors:Jakoncic, J, Shoham, G, Stojanoff, V.
Deposit date:2004-10-05
Release date:2006-02-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of 1,4-Beta-D-Xylan Xylohydrolase from Geobacillus Stearothermophilus.
To be Published
1W72
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BU of 1w72 by Molmil
Crystal structure of HLA-A1:MAGE-A1 in complex with Fab-Hyb3
Descriptor: BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Hulsmeyer, M, Chames, P, Hillig, R.C, Stanfield, R.L, Held, G, Coulie, P.G, Alings, C, Wille, G, Saenger, W, Uchanska-Ziegler, B, Hoogenboom, H.R, Ziegler, A.
Deposit date:2004-08-27
Release date:2004-11-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Major Histocompatibility Complex.Peptide- Restricted Antibody and T Cell Receptor Molecules Recognize Their Target by Distinct Binding Modes: Crystal Structure of Human Leukocyte Antigen (Hla)-A1.Mage-A1 in Complex with Fab-Hyb3
J.Biol.Chem., 280, 2005
1W7H
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BU of 1w7h by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
Descriptor: 3-(BENZYLOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Jhoti, H, Gill, A, Cleasby, A, Devine, L.
Deposit date:2004-09-02
Release date:2005-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
5VME
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BU of 5vme by Molmil
Crystal structure of human IgG1 Fc K248E, T437R mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, human IgG1 Fc K248E,T437R mutant
Authors:Armstrong, A.A, Gilliland, G.L.
Deposit date:2017-04-27
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Functional optimization of agonistic antibodies to OX40 receptor with novel Fc mutations to promote antibody multimerization.
MAbs, 9, 2017
5VMJ
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BU of 5vmj by Molmil
Influenza hemagglutinin H1 mutant DH1E in complex with 3'SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:Ni, F, Kondrashkina, E, Wang, Q.
Deposit date:2017-04-27
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Determinant of receptor-preference switch in influenza hemagglutinin.
Virology, 513, 2017
3H9M
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BU of 3h9m by Molmil
Crystal structure of para-aminobenzoate synthetase, component I from Cytophaga hutchinsonii
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, TRIETHYLENE GLYCOL, p-aminobenzoate synthetase, ...
Authors:Sampathkumar, P, Atwell, S, Wasserman, S, Do, J, Bain, K, Rutter, M, Gheyi, T, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-04-30
Release date:2009-06-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of para-aminobenzoate synthetase, component I from Cytophaga hutchinsonii
To be Published
4O6N
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BU of 4o6n by Molmil
Structure of AF2299, a CDP-alcohol phosphotransferase (CDP-bound)
Descriptor: AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ...
Authors:Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2013-12-22
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
3HAL
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BU of 3hal by Molmil
Crystal structure of Rabbit acidic fibroblast growth factor
Descriptor: CHLORIDE ION, Fibroblast growth factor 1 isoform 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2009-05-01
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structure and biophysical properties of rabbit fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
3HB2
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BU of 3hb2 by Molmil
PrtC methionine mutants: M226I
Descriptor: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
Authors:Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
Deposit date:2009-05-04
Release date:2009-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site
Biol.Chem., 390, 2009
4O7Q
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BU of 4o7q by Molmil
Crystal Structure of the F27G AIM2 Pyrin Domain Mutant and Similarities of its Self-association to DED/DED Interactions
Descriptor: Interferon-inducible protein AIM2
Authors:Lu, A, Kabaleeswaran, V, Wu, H.
Deposit date:2013-12-26
Release date:2014-02-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure of the F27G AIM2 PYD Mutant and Similarities of Its Self-Association to DED/DED Interactions.
J.Mol.Biol., 426, 2014
3HAZ
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BU of 3haz by Molmil
Crystal structure of bifunctional proline utilization A (PutA) protein
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2009-05-03
Release date:2010-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the bifunctional proline utilization A flavoenzyme from Bradyrhizobium japonicum
Proc.Natl.Acad.Sci.USA, 107, 2010

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