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2Q8S
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BU of 2q8s by Molmil
X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
Descriptor: (2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2007-06-11
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Effects of modifications of the linker in a series of phenylpropanoic acid derivatives: Synthesis, evaluation as PPARalpha/gamma dual agonists, and X-ray crystallographic studies.
Bioorg.Med.Chem., 16, 2008
2PS0
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BU of 2ps0 by Molmil
Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli
Descriptor: High-affinity zinc uptake system protein znuA, ZINC ION
Authors:Yatsunyk, L.A, Kim, L.R, Vorontsov, I.I, Rosenzweig, A.C.
Deposit date:2007-05-04
Release date:2007-06-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli.
J.Biol.Inorg.Chem., 13, 2008
1MDA
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BU of 1mda by Molmil
CRYSTAL STRUCTURE OF AN ELECTRON-TRANSFER COMPLEX BETWEEN METHYLAMINE DEHYDROGENASE AND AMICYANIN
Descriptor: AMICYANIN, COPPER (II) ION, METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), ...
Authors:Chen, L, Durley, R, Mathews, F.S.
Deposit date:1992-03-02
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of an electron-transfer complex between methylamine dehydrogenase and amicyanin.
Biochemistry, 31, 1992
5JM6
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BU of 5jm6 by Molmil
Structure of Chaetomium thermophilum mApe1
Descriptor: Aminopeptidase-like protein, ZINC ION
Authors:Bertipaglia, C, Jakobi, A.J, Wilmanns, M, Sachse, C.
Deposit date:2016-04-28
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.758 Å)
Cite:Higher-order assemblies of oligomeric cargo receptor complexes form the membrane scaffold of the Cvt vesicle.
Embo Rep., 17, 2016
6LYZ
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BU of 6lyz by Molmil
Real-space refinement of the structure of hen egg-white lysozyme
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Diamond, R, Phillips, D.C, Blake, C.C.F, North, A.C.T.
Deposit date:1975-02-01
Release date:1977-04-12
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Real-space refinement of the structure of hen egg-white lysozyme.
J.Mol.Biol., 82, 1974
2PS3
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BU of 2ps3 by Molmil
Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli
Descriptor: High-affinity zinc uptake system protein znuA
Authors:Yatsunyk, L.A, Kim, L.R, Vorontsov, I.I, Rosenzweig, A.C.
Deposit date:2007-05-04
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli.
J.Biol.Inorg.Chem., 13, 2008
5K72
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BU of 5k72 by Molmil
IRAK4 in complex with Compound 21
Descriptor: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
Authors:Ferguson, A.D.
Deposit date:2016-05-25
Release date:2017-12-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
5JW3
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BU of 5jw3 by Molmil
Structure of MEDI8852 Fab Fragment in Complex with H7 HA
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, ...
Authors:Collins, P.J, Neu, U, Walker, P.A, Vorlaender, M.K, Ogrodowicz, R.W, Martin, S.R, Gamblin, S.J, Skehel, J.J.
Deposit date:2016-05-11
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Structure and Function Analysis of an Antibody Recognizing All Influenza A Subtypes.
Cell, 166, 2016
5JQ6
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BU of 5jq6 by Molmil
Crystal structure of ClfA in complex with the Fab fragment of Tefibazumab
Descriptor: Clumping factor A, Tefibazumab FAB FRAGMENT HEAVY CHAIN, Tefibazumab FAB FRAGMENT LIGHT CHAIN
Authors:Ganesh, V.K.
Deposit date:2016-05-04
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lessons from the Crystal Structure of the S. aureus Surface Protein Clumping Factor A in Complex With Tefibazumab, an Inhibiting Monoclonal Antibody.
EBioMedicine, 13, 2016
5JWG
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BU of 5jwg by Molmil
Crystal structure of Porphyromonas endodontalis DPP11 in complex with dipeptide Arg-Asp
Descriptor: 1,2-ETHANEDIOL, ARGININE, ASPARTIC ACID, ...
Authors:Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K.
Deposit date:2016-05-12
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
2OFA
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BU of 2ofa by Molmil
Crystal structure of apo AVR4 (R112L,C122S)
Descriptor: Avidin-related protein 4/5, FORMIC ACID
Authors:Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
Deposit date:2007-01-03
Release date:2007-12-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Critical importance of loop conformation to avidin-enhanced hydrolysis of an active biotin ester.
Acta Crystallogr.,Sect.D, 64, 2008
5JXF
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BU of 5jxf by Molmil
Crystal structure of Flavobacterium psychrophilum DPP11 in complex with dipeptide Arg-Asp
Descriptor: ARGININE, ASPARTIC ACID, Asp/Glu-specific dipeptidyl-peptidase, ...
Authors:Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5JWL
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BU of 5jwl by Molmil
Factor Inhibiting HIF D201E in Complex with Zn, and Alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Taabazuing, C.Y, Garman, S.C, Eron, S, Knapp, M.J.
Deposit date:2016-05-12
Release date:2017-05-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Factor Inhibiting HIF D201E in Complex with Zn, and Alpha-Ketoglutarate
To Be Published
5JTJ
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BU of 5jtj by Molmil
USP7CD-CTP in complex with Ubiquitin
Descriptor: CALCIUM ION, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7,Ubiquitin carboxyl-terminal hydrolase 7
Authors:Murray, J.M, Rouge, L.
Deposit date:2016-05-09
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.321 Å)
Cite:Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
5JTV
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BU of 5jtv by Molmil
USP7CD-UBL45 in complex with Ubiquitin
Descriptor: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Murray, J.M, Rouge, L.
Deposit date:2016-05-09
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.312 Å)
Cite:Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
5L1Z
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BU of 5l1z by Molmil
TAR complex with HIV-1 Tat-AFF4-P-TEFb
Descriptor: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
Authors:Schulze-Gahmen, U, Hurley, J.
Deposit date:2016-07-29
Release date:2016-10-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (5.9 Å)
Cite:Insights into HIV-1 proviral transcription from integrative structure and dynamics of the Tat:AFF4:P-TEFb:TAR complex.
Elife, 5, 2016
5KJM
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BU of 5kjm by Molmil
SMYD2 in complex with AZ931
Descriptor: 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
Authors:Ferguson, A.
Deposit date:2016-06-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
5KZO
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BU of 5kzo by Molmil
Notch1 transmembrane and associated juxtamembrane segment
Descriptor: Neurogenic locus notch homolog protein 1
Authors:Deatherage, C.L, Lu, Z, Kroncke, B.
Deposit date:2016-07-25
Release date:2017-05-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and biochemical differences between the Notch and the amyloid precursor protein transmembrane domains.
Sci Adv, 3, 2017
2Q8U
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BU of 2q8u by Molmil
CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION
Descriptor: Exonuclease, putative
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-06-11
Release date:2007-06-26
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the first eubacterial Mre11 nuclease reveals novel features that may discriminate substrates during DNA repair.
J.Mol.Biol., 397, 2010
2O2U
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BU of 2o2u by Molmil
Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Descriptor: Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Authors:Somers, D, Rowland, P.
Deposit date:2006-11-30
Release date:2007-02-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
2O3O
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BU of 2o3o by Molmil
Crystal Structure of the sensor histidine kinase regulator YycI from Bacillus subtitlis
Descriptor: CHLORIDE ION, YycI protein
Authors:Santelli, E, Liddington, R.C.
Deposit date:2006-12-01
Release date:2007-04-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The Crystal Structure of Bacillus subtilis YycI Reveals a Common Fold for Two Members of an Unusual Class of Sensor Histidine Kinase Regulatory Proteins.
J.Bacteriol., 189, 2007
5JEV
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BU of 5jev by Molmil
del-[Ru(phen)2(dppz]2+ bound to d(TCGGCGCCGA) with Cobalt hexammine
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), Delta-Ru(phen)2(dppz) complex
Authors:Hall, J.P, Cardin, C.J.
Deposit date:2016-04-19
Release date:2016-09-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Delta chirality ruthenium 'light-switch' complexes can bind in the minor groove of DNA with five different binding modes.
Nucleic Acids Res., 44, 2016
5J9L
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BU of 5j9l by Molmil
Crystal structure of CPT1691 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-10
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7515 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
2OF8
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BU of 2of8 by Molmil
Crystal structure of AVR4 (D39A/C122S)-BNA complex
Descriptor: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Avidin-related protein 4/5, FORMIC ACID
Authors:Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
Deposit date:2007-01-03
Release date:2007-12-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Critical importance of loop conformation to avidin-enhanced hydrolysis of an active biotin ester.
Acta Crystallogr.,Sect.D, 64, 2008
2OFB
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BU of 2ofb by Molmil
Crystal structure of AVR4 (R112L/C122S)-BNA complex
Descriptor: 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Avidin-related protein 4/5, FORMIC ACID
Authors:Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
Deposit date:2007-01-03
Release date:2007-12-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Critical importance of loop conformation to avidin-enhanced hydrolysis of an active biotin ester.
Acta Crystallogr.,Sect.D, 64, 2008

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