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3V1K
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BU of 3v1k by Molmil
Crystal Structure of the H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400.
Descriptor: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONIC ACID
Authors:Ghosh, S, Bolin, J.T.
Deposit date:2011-12-09
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
4W9E
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BU of 4w9e by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4)
Descriptor: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
3MWF
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BU of 3mwf by Molmil
Crystal structure of Staphylococcus aureus SirA complexed with staphyloferrin B
Descriptor: 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid, FE (III) ION, Iron-regulated ABC transporter siderophore-binding protein SirA
Authors:Grigg, J.C, Murphy, M.E.P.
Deposit date:2010-05-05
Release date:2010-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Staphylococcus aureus SirA specificity for staphyloferrin B is driven by localized conformational change
To be Published
3MWQ
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BU of 3mwq by Molmil
Crystal structure of ribonuclease A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
Descriptor: GLYCEROL, Ribonuclease pancreatic, LINKER, ...
Authors:Neumann, P, Leich, F.
Deposit date:2010-05-06
Release date:2011-02-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of RNase A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
Febs J., 278, 2011
3MX3
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BU of 3mx3 by Molmil
Crystal structure of a SusD homolog (BF0972) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-05-06
Release date:2010-07-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a SusD homolog (BF0972) from Bacteroides fragilis NCTC 9343 at 2.00 A resolution
To be published
6NHG
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BU of 6nhg by Molmil
Rhodobacter sphaeroides Mitochondrial respiratory chain complex
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Xia, D, Zhou, F, Esser, L.
Deposit date:2018-12-21
Release date:2019-06-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit.
J.Biol.Chem., 294, 2019
3EB6
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BU of 3eb6 by Molmil
Structure of the cIAP2 RING domain bound to UbcH5b
Descriptor: Baculoviral IAP repeat-containing protein 3, Ubiquitin-conjugating enzyme E2 D2, ZINC ION
Authors:Mace, P.D, Linke, K, Schumacher, F.-R, Smith, C.A, Day, C.L.
Deposit date:2008-08-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of the cIAP2 RING Domain Reveal Conformational Changes Associated with Ubiquitin-conjugating Enzyme (E2) Recruitment.
J.Biol.Chem., 283, 2008
3EJ5
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BU of 3ej5 by Molmil
complex of Ricin A chain and pyrimidine-based inhibitor
Descriptor: 4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid, Ricin A chain
Authors:Bai, Y, Monzingo, A.F, Robertus, J.D.
Deposit date:2008-09-17
Release date:2009-04-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The X-ray structure of ricin A chain with a novel inhibitor
Arch.Biochem.Biophys., 483, 2009
3MTQ
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BU of 3mtq by Molmil
Crystal structure of a putative phosphoenolpyruvate-dependent sugar phosphotransferase system (PTS) permease (KPN_04802) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.70 A resolution
Descriptor: putative phosphoenolpyruvate-dependent sugar phosphotransferase system (PTS) permease
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-04-30
Release date:2010-05-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a putative phosphoenolpyruvate-dependent sugar phosphotransferase system (PTS) permease (KPN_04802) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.70 A resolution
To be published
3EJG
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BU of 3ejg by Molmil
Crystal structure of HCoV-229E X-domain
Descriptor: Non-structural protein 3
Authors:Piotrowski, Y, Hansen, G, Hilgenfeld, R.
Deposit date:2008-09-18
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
5WAV
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BU of 5wav by Molmil
Fc AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery.
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)]alpha-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, GLYCEROL, Immunoglobulin gamma-1 heavy chain,Immunoglobulin gamma-1 heavy chain
Authors:Williams, S.P, Reid, R.A, Convery, M.A.
Deposit date:2017-06-27
Release date:2017-11-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery.
To Be Published
3EBD
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BU of 3ebd by Molmil
Structure of inhibited murine iNOS oxygenase domain
Descriptor: (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-27
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EBW
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BU of 3ebw by Molmil
Crystal structure of major allergens, Per a 4 from cockroaches
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Per a 4 allergen
Authors:Tan, Y.W, Chan, S.L, Chew, F.T, Sivaraman, J, Mok, Y.K.
Deposit date:2008-08-28
Release date:2008-12-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of two major allergens, Bla g 4 and Per a 4, from cockroaches and their IgE binding epitopes.
J.Biol.Chem., 284, 2008
6NKK
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BU of 6nkk by Molmil
Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
5WKI
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BU of 5wki by Molmil
Crystal structure of PG90 TCR-CD1b-PG complex
Descriptor: (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shahine, A, Gras, S, Rossjohn, J.
Deposit date:2017-07-25
Release date:2017-11-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
3V9O
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BU of 3v9o by Molmil
Crystal structure of Dihydroneopterin aldolase (BTH_I0291) from Burkholderia thailendensis bound to guanine.
Descriptor: 1,2-ETHANEDIOL, Dihydroneopterin aldolase, GUANINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-27
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
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:2024-11-13
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
5WLS
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BU of 5wls by Molmil
Crystal Structure of a Pollen Receptor Kinase 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pollen receptor-like kinase 3
Authors:Xu, G, Chakraborty, S, Pan, H.
Deposit date:2017-07-27
Release date:2018-06-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:The Extracellular Domain of Pollen Receptor Kinase 3 is structurally similar to the SERK family of co-receptors.
Sci Rep, 8, 2018
3EL5
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BU of 3el5 by Molmil
Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
Authors:King, N, Prabu-Jeyabalan, M, Schiffer, C.
Deposit date:2008-09-20
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3ELG
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BU of 3elg by Molmil
Crystal structure of a putative periplasmic protein of unknown function (bvu_2443) from bacteroides vulgatus atcc 8482 at 1.64 A resolution
Descriptor: CITRIC ACID, uncharacterized periplasmic protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-09-22
Release date:2008-10-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of putative periplasmic protein of unknown function (YP_001299723.1) from Bacteroides vulgatus ATCC 8482 at 1.64 A resolution
TO BE PUBLISHED
3MWV
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BU of 3mwv by Molmil
Crystal structure of HCV NS5B polymerase
Descriptor: Genome polyprotein
Authors:Coulombe, R.
Deposit date:2010-05-06
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B.
J.Am.Chem.Soc., 132, 2010
3VCE
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BU of 3vce by Molmil
Thaumatin by LB based Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Best Case)
Descriptor: GLYCEROL, Thaumatin I
Authors:Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C.
Deposit date:2012-01-04
Release date:2012-11-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
Crit Rev Eukaryot Gene Expr, 22, 2012
4V49
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BU of 4v49 by Molmil
Crystal Structure of a Streptomycin Dependent Ribosome from E. Coli 70S Ribosome.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S ribosomal protein S10, ...
Authors:Vila-Sanjurjo, A, Ridgeway, W.K, Seymaner, V, Zhang, W, Santoso, S, Yu, K, Cate, J.H.D.
Deposit date:2003-06-13
Release date:2014-07-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (8.7 Å)
Cite:X-ray Crystal Structures of the WT and a Hyper-Accurate Ribosome From Escherichia Coli
Proc.Natl.Acad.Sci.USA, 100, 2003
3VCJ
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BU of 3vcj by Molmil
Thaumatin by LB Hanging Drop Vapour Diffusion after 9.05 MGy X-Ray dose at ESRF ID29 beamline (Best Case)
Descriptor: GLYCEROL, Thaumatin I
Authors:Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C.
Deposit date:2012-01-04
Release date:2012-11-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
Crit Rev Eukaryot Gene Expr, 22, 2012
4V4S
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BU of 4v4s by Molmil
Crystal structure of the whole ribosomal complex.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Petry, S, Brodersen, D.E, Murphy IV, F.V, Dunham, C.M, Selmer, M, Tarry, M.J, Kelley, A.C, Ramakrishnan, V.
Deposit date:2005-10-12
Release date:2014-07-09
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (6.76 Å)
Cite:Crystal Structures of the Ribosome in Complex with Release Factors RF1 and RF2 Bound to a Cognate Stop Codon.
Cell(Cambridge,Mass.), 123, 2005

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