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3EGU
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BU of 3egu by Molmil
Crystal structure of the N114A mutant of ABL-SH3 domain
Descriptor: GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2008-09-11
Release date:2009-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl.
J.Biol.Chem., 285, 2010
4ONL
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BU of 4onl by Molmil
Crystal structure of human Mms2/Ubc13_D81N, R85S, A122V, N123P
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-28
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
3E7A
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BU of 3e7a by Molmil
Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin Nodularin-R
Descriptor: AZIDE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Kelker, M.S, Page, R, Peti, W.
Deposit date:2008-08-18
Release date:2008-11-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structures of protein phosphatase-1 bound to nodularin-R and tautomycin: a novel scaffold for structure-based drug design of serine/threonine phosphatase inhibitors
J.Mol.Biol., 385, 2009
3WJL
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BU of 3wjl by Molmil
Crystal structure of IIb selective Fc variant, Fc(V12), in complex with FcgRIIb
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, Low affinity immunoglobulin gamma Fc region receptor II-c, ...
Authors:Kadono, S, Mimoto, F, Katada, H, Igawa, T, Kuramochi, T, Muraoka, M, Wada, Y, Haraya, K, Miyazaki, T, Hattori, K.
Deposit date:2013-10-11
Release date:2013-11-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Engineered antibody Fc variant with selectively enhanced Fc gamma RIIb binding over both Fc gamma RIIaR131 and Fc gamma RIIaH131.
Protein Eng.Des.Sel., 26, 2013
3EIO
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BU of 3eio by Molmil
Crystal Structure Analysis of DPPIV Inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid, ...
Authors:Ahn, J.H, Lee, J.-O.
Deposit date:2008-09-17
Release date:2008-11-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and biological evaluation of homopiperazine derivatives with beta-aminoacyl group as dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
4OTD
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BU of 4otd by Molmil
Crystal Structure of PRK1 Catalytic Domain
Descriptor: Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
3EJI
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BU of 3eji by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L36K at cryogenic temperature
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Thermonuclease
Authors:Khangulov, V.S, Schlessman, J.L, Garcia-Moreno, E.B, Benning, M, Isom, D.
Deposit date:2008-09-18
Release date:2008-11-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Consequences of the Ionization of Lysines at 25 Internal Positions in a Protein
To be Published
3EKP
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BU of 3ekp by Molmil
Crystal Structure of the inhibitor Amprenavir (APV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A)Refer: FLAP+ in citation
Descriptor: ACETATE ION, PHOSPHATE ION, Protease, ...
Authors:Prabu-Jayabalan, M, King, N.M, Bandaranayake, R.M.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3E9Z
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BU of 3e9z by Molmil
Crystal structure of purine nucleoside phosphorylase from Schistosoma mansoni in complex with 6-chloroguanine
Descriptor: 6-chloroguanine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Pereira, H.M, Rezende, M.M, Oliva, G, Garratt, R.C.
Deposit date:2008-08-24
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase (SmPNP) in complex with adenine, 8-aminoguanine, 8-azaguanine and 6-chloroguanine.
To be Published
3EMK
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BU of 3emk by Molmil
2.5A crystal structure of glucose/ribitol dehydrogenase from brucella melitensis
Descriptor: GLUCOSE/RIBITOL DEHYDROGENASE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-24
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:2.5A crystal structure of glucose/ribitol dehydrogenase from brucella melitensis
To be Published
3EEI
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BU of 3eei by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A
Descriptor: (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5-methylthioadenosine nucleosidase/S-adenosylhomocysteine nucleosidase
Authors:Ho, M, Rinaldo-matthis, A, Brown, R.L, Norris, G.E, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L.
Deposit date:2008-09-04
Release date:2009-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A
To be Published
3EKH
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BU of 3ekh by Molmil
Calcium-saturated GCaMP2 T116V/K378W mutant monomer
Descriptor: CALCIUM ION, GLYCEROL, Myosin light chain kinase, ...
Authors:Akerboom, J, Velez Rivera, J.D, Looger, L.L, Schreiter, E.R.
Deposit date:2008-09-19
Release date:2008-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design
J.Biol.Chem., 284, 2009
3E2E
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BU of 3e2e by Molmil
Crystal Structure of an Intermediate Complex of T7 RNAP and 7nt of RNA
Descriptor: DNA (28-MER), DNA (31-MER), DNA-directed RNA polymerase, ...
Authors:Durniak, K.J, Bailey, S, Steitz, T.A.
Deposit date:2008-08-05
Release date:2008-11-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of a transcribing t7 RNA polymerase in transition from initiation to elongation
Science, 322, 2008
3E2A
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BU of 3e2a by Molmil
H. influenzae beta-carbonic anhydrase, variant Y181F with 100 mM bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Rowlett, R.S, Lee, J.
Deposit date:2008-08-05
Release date:2009-06-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase.
Biochemistry, 48, 2009
3EDG
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BU of 3edg by Molmil
Crystal structure of bone morphogenetic protein 1 protease domain
Descriptor: ACETYL GROUP, Bone morphogenetic protein 1, ZINC ION
Authors:Mac Sweeney, A.
Deposit date:2008-09-03
Release date:2008-09-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural basis for the substrate specificity of bone morphogenetic protein 1/tolloid-like metalloproteases
To be Published
3E5O
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BU of 3e5o by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser off
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-08-14
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FVT
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BU of 3fvt by Molmil
Crystal Structure of Acetyl Xylan Esterase from Bacillus pumilus, monoclinic crystal form II
Descriptor: Acetyl xylan esterase, CHLORIDE ION, GLYCEROL
Authors:Krastanova, I, Cassetta, A, Lamba, D.
Deposit date:2009-01-16
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional studies of Bacillus pumilus acetyl xylan esterase
To be Published
4P6A
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BU of 4p6a by Molmil
Crystal structure of a potent anti-HIV lectin actinohivin in complex with alpha-1,2-mannotriose
Descriptor: Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Zhang, F, Hoque, M.M, Suzuki, K, Tsunoda, M, Naomi, O, Tanaka, H, Takenaka, A.
Deposit date:2014-03-23
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:The characteristic structure of anti-HIV actinohivin in complex with three HMTG D1 chains of HIV-gp120.
Chembiochem, 15, 2014
3G0A
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BU of 3g0a by Molmil
Mth0212 with two bound manganese ions
Descriptor: Exodeoxyribonuclease, GLYCEROL, MANGANESE (II) ION, ...
Authors:Lakomek, K, Dickmanns, A, Ficner, R.
Deposit date:2009-01-27
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA
J.Mol.Biol., 399, 2010
3G1E
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BU of 3g1e by Molmil
X-ray crystal structure of coil 1A of human vimentin
Descriptor: Vimentin
Authors:Meier, M, Padilla, G.P, Herrmann, H, Wedig, T, Hergt, M, Patel, T.R, Stetefeld, J, Aebi, U, Burkhard, P.
Deposit date:2009-01-29
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Vimentin coil 1A-A molecular switch involved in the initiation of filament elongation.
J.Mol.Biol., 390, 2009
4OV4
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BU of 4ov4 by Molmil
Isopropylmalate synthase binding with ketoisovalerate
Descriptor: 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, ZINC ION
Authors:Zhang, Z, Wu, J, Wang, C, Zhang, P.
Deposit date:2014-02-20
Release date:2014-08-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
3GCO
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BU of 3gco by Molmil
Crystal structure of DegS H198P/D320A mutant modified by DFP in complex with DNRDGNVYQF OMP peptide
Descriptor: DNRDGNVYQF peptide, Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2009-02-22
Release date:2009-03-31
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:OMP peptides activate the DegS stress-sensor protease by a relief of inhibition mechanism.
Structure, 17, 2009
4OOJ
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BU of 4ooj by Molmil
Crystal structure of the N-terminal domain of the Legionella pneumophila protein SidC at 2.4A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SidC, ...
Authors:Gazdag, E.M, Shoebel, S, Shkumatov, A.V, Goody, R.S, Itzen, A.
Deposit date:2014-02-03
Release date:2014-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of the N-terminal domain of the Legionella protein SidC
J.Struct.Biol., 186, 2014
4O8S
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BU of 4o8s by Molmil
Crystal structure of JHP933 from Helicobacter pylori
Descriptor: Putative
Authors:Zhao, Y.H, Su, Y.T, Sun, L.F, Wu, Y.
Deposit date:2013-12-30
Release date:2014-09-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure Confirmation of JHP933 as a Nucleotidyltransferase Superfamily Protein from Helicobacter pylori Strain J99
Plos One, 9, 2014
3V51
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BU of 3v51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
Descriptor: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-15
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012

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