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PDB: 2898 results

1O5B
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Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
Descriptor: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRIC ACID, Urokinase-type plasminogen activator
Authors:Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E.
Deposit date:2003-09-09
Release date:2004-09-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA)
J.Mol.Biol., 344, 2004
1OBU
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Apocrustacyanin C1 crystals grown in space and earth using vapour diffusion geometry
Descriptor: CRUSTACYANIN C1 SUBUNIT
Authors:Habash, J, Boggon, T.J, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R.
Deposit date:2003-01-31
Release date:2003-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Apocrustacyanin C(1) Crystals Grown in Space and on Earth Using Vapour-Diffusion Geometry: Protein Structure Refinements and Electron-Density Map Comparisons
Acta Crystallogr.,Sect.D, 59, 2003
6AYW
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BU of 6ayw by Molmil
The structure of human CamKII with bound inhibitor
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
Authors:Somoza, J.R, Villasenor, A.G.
Deposit date:2017-09-08
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of human CamKII with bound inhibitor
To Be Published
5TRE
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BU of 5tre by Molmil
Zinc and the Iron Donor Frataxin Regulate Oligomerization of the Scaffold Protein to Form New Fe-S Cluster Assembly Centers
Descriptor: Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1
Authors:Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Thompson, J.R, Isaya, G.
Deposit date:2016-10-26
Release date:2017-06-07
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (15.6 Å)
Cite:Zinc and the iron donor frataxin regulate oligomerization of the scaffold protein to form new Fe-S cluster assembly centers.
Metallomics, 9, 2017
1OBQ
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Apocrustacyanin C1 crystals grown in space and earth using vapour diffusion geometry
Descriptor: CRUSTACYANIN C1 SUBUNIT
Authors:Habash, J, Boggon, T.J, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R.
Deposit date:2003-01-31
Release date:2003-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Apocrustacyanin C(1) Crystals Grown in Space and on Earth Using Vapour-Diffusion Geometry: Protein Structure Refinements and Electron-Density Map Comparisons
Acta Crystallogr.,Sect.D, 59, 2003
5TXT
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Structure of asymmetric apo/holo ALAS dimer from S. cerevisiae
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 5-aminolevulinate synthase, mitochondrial, ...
Authors:Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A.
Deposit date:2016-11-17
Release date:2018-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme.
Structure, 26, 2018
5UEC
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Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide.
Descriptor: (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B, Halpert, J.R.
Deposit date:2016-12-30
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
1NXI
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Solution structure of Vibrio cholerae protein VC0424
Descriptor: conserved hypothetical protein VC0424
Authors:Ramelot, T.A, Ni, S, Goldsmith-Fischman, S, Cort, J.R, Honig, B, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-02-10
Release date:2003-07-01
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of Vibrio cholerae protein VC0424: a variation of the ferredoxin-like fold.
Protein Sci., 12, 2003
5U4R
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BU of 5u4r by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 53-1A09 Fab.
Descriptor: VRC 315 53-1A09 Fab Heavy chain, VRC 315 53-1A09 Fab Light chain
Authors:Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
Deposit date:2016-12-05
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
6B74
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BU of 6b74 by Molmil
Structures of the two-chain human plasma Factor XIIa co-crystallized with potent inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Coagulation factor XII, ...
Authors:Dementiev, A.A, Partridge, J.R.
Deposit date:2017-10-03
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
7FEF
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Crystal structure of AtMBD6 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain-containing protein 6
Authors:Wu, Z.B, Liu, K, Min, J.R.
Deposit date:2021-07-19
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
5TPX
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Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound
Descriptor: (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ...
Authors:Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-10-21
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a PCAF Bromodomain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 56, 2017
7FEO
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Crystal structure of AtMBD5 MBD domain
Descriptor: Methyl-CpG-binding domain-containing protein 5, SULFATE ION
Authors:Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2021-07-21
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
1Q48
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BU of 1q48 by Molmil
Solution NMR Structure of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. This protein is not apo, it is a model without zinc binding constraints.
Descriptor: NifU-like protein
Authors:Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-08-01
Release date:2003-11-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site.
J.Mol.Biol., 344, 2004
6BCM
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BU of 6bcm by Molmil
Structure of a Self-inhibited N475A variant of the Venezuelan Equine Encephalitis Virus (VEEV) nsP2 cysteine protease
Descriptor: GLYCEROL, Protease nsP2, SODIUM ION
Authors:Compton, J.R, Legler, P.M.
Deposit date:2017-10-20
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutation of Asn-475 in the Venezuelan Equine Encephalitis Virus nsP2 Cysteine Protease Leads to a Self-Inhibited State.
Biochemistry, 56, 2017
6B2N
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BU of 6b2n by Molmil
Crystal structure of TEM-1 beta-lactamase mutant M182N
Descriptor: Beta-lactamase TEM, SULFATE ION
Authors:Jimah, J.R, Tolia, N.H.
Deposit date:2017-09-20
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models.
ACS Cent Sci, 3, 2017
5U58
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Psf4 in complex with Fe2+ and (R)-2-HPP
Descriptor: (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION, [(2R)-2-hydroxypropyl]phosphonic acid
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
5UFJ
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BU of 5ufj by Molmil
Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6
Descriptor: 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
Deposit date:2017-01-04
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
5U9N
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Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine
Descriptor: Bromo domain containing protein, Bromosporine, SULFATE ION
Authors:Hou, C.F.D, Lin, Y.H, Loppnau, P, Hutchinson, A, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-12-16
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine
To be published
5UDA
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BU of 5uda by Molmil
Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CAMPHANE, Cytochrome P450 2B6, ...
Authors:Shah, M.B, Halpert, J.R.
Deposit date:2016-12-24
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
1MYW
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BU of 1myw by Molmil
CRYSTAL STRUCTURE OF A YELLOW FLUORESCENT PROTEIN WITH IMPROVED MATURATION AND REDUCED ENVIRONMENTAL SENSITIVITY
Descriptor: Green fluorescent protein
Authors:Rekas, A, Alattia, J.R, Nagai, T, Miyawaki, A, Ikura, M.
Deposit date:2002-10-04
Release date:2003-01-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Venus, a Yellow Fluorescent Protein with Improved Maturation and Reduced Environmental Sensitivity
J.Biol.Chem., 277, 2002
5UD6
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Crystal structure of DHDPS from Cyanidioschyzon merolae with lysine bound
Descriptor: CALCIUM ION, Dihydrodipicolinate synthase, LYSINE
Authors:Watkin, S, Keown, J.R, Pearce, F.G.
Deposit date:2016-12-23
Release date:2017-12-27
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of DHDPS from Cyanidioschyzon merolae with lysine bound
To Be Published
5U57
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Psf4 in complex with Fe2+ and (S)-2-HPP
Descriptor: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-12-06
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
1MR3
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BU of 1mr3 by Molmil
Saccharomyces cerevisiae ADP-ribosylation Factor 2 (ScArf2) complexed with GDP-3'P at 1.6A resolution
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ADP-ribosylation factor 2, ...
Authors:Amor, J.-C, Horton, J.R, Zhu, X, Wang, Y, Sullards, C, Ringe, D, Cheng, X, Kahn, R.A.
Deposit date:2002-09-17
Release date:2002-11-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of yeast ARF2 and ARL1: distinct roles for the N terminus in the structure and function of ARF family GTPases.
J.Biol.Chem., 276, 2001
5UI3
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Crystal structure of DHDPS from chlamydomonas reinhardtii
Descriptor: 2-OXOGLUTARIC ACID, Dihydrodipicolinate synthase
Authors:Watkin, S, Keown, J.R, Pearce, F.G.
Deposit date:2017-01-12
Release date:2018-01-17
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of DHDPS from chlamydomonas reinhardtii
To Be Published

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