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4K3W
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BU of 4k3w by Molmil
Crystal structure of an enoyl-CoA hydratase/isomerase from Marinobacter aquaeolei
Descriptor: Enoyl-CoA hydratase/isomerase
Authors:Eswaramoorthy, S, Chamala, S, Evans, B, Foti, F, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-04-11
Release date:2013-04-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of an enoyl-CoA hydratase/isomerase from Marinobacter aquaeolei
To be Published
4UEC
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BU of 4uec by Molmil
Complex of D. melanogaster eIF4E with eIF4G and cap analog
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4G, ...
Authors:Peter, D, Weichenrieder, O.
Deposit date:2014-12-16
Release date:2015-02-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E.
Mol.Cell, 57, 2015
3M23
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BU of 3m23 by Molmil
Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate
Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ...
Authors:Meharenna, Y.T, Poulos, T.L.
Deposit date:2010-03-06
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic and single-crystal spectral analysis of the peroxidase ferryl intermediate.
Biochemistry, 49, 2010
3DMZ
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BU of 3dmz by Molmil
Hexafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2008-07-01
Release date:2008-11-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
3M2G
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BU of 3m2g by Molmil
Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate
Descriptor: Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ...
Authors:Meharenna, Y.T, Poulos, T.L.
Deposit date:2010-03-07
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic and single-crystal spectral analysis of the peroxidase ferryl intermediate.
Biochemistry, 49, 2010
4K49
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BU of 4k49 by Molmil
X-ray crystal structure of E. coli YdiI complexed with 2,4-dihydroxyphenacyl CoA
Descriptor: 2,4-dihydroxyphenacyl coenzyme A, Esterase YdiI
Authors:Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2013-04-12
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K4G
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BU of 4k4g by Molmil
Ternary crystal structures of human DNA POLYMERASE LAMBDA IN COMPLEX WITH DNA AND L-DCTP.
Descriptor: 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one, ACETATE ION, CACODYLATE ION, ...
Authors:Vyas, R, Suo, Z.
Deposit date:2013-04-12
Release date:2014-07-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for the binding and incorporation of nucleotide analogs with L-stereochemistry by human DNA polymerase lambda.
Proc.Natl.Acad.Sci.USA, 111, 2014
3M5T
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BU of 3m5t by Molmil
Fragment tethered to Carbonic Anhydrase II H64C mutant
Descriptor: 3,3-diphenyl-N-(2-sulfanylethyl)propanamide, CARBONATE ION, Carbonic anhydrase 2, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2010-03-13
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment screening on Carbonic Anhydrase II via Tethering approach
To be Published
3M5Y
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BU of 3m5y by Molmil
Crystal structure of the mutant V182A,V201A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum
Descriptor: FORMIC ACID, GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-03-14
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.455 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation.
Biochemistry, 49, 2010
3M6D
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BU of 3m6d by Molmil
The crystal structure of the d307a mutant of glycoside Hydrolase (family 31) from ruminococcus obeum atcc 29174
Descriptor: Uncharacterized protein
Authors:Tan, K, Tesar, C, Freeman, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-15
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel alpha-glucosidase from human gut microbiome: substrate specificities and their switch.
Faseb J., 24, 2010
4UDB
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BU of 4udb by Molmil
MR in complex with desisobutyrylciclesonide
Descriptor: DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
3DHJ
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BU of 3dhj by Molmil
Beta 2 microglobulin mutant W60C
Descriptor: Beta-2-microglobulin
Authors:Ricagno, S, Colombo, M, de Rosa, M, Bolognesi, M, Giorgetti, S, Bellotti, V.
Deposit date:2008-06-18
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:DE loop mutations affect beta2-microglobulin stability and amyloid aggregation
Biochem.Biophys.Res.Commun., 377, 2008
4K5G
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BU of 4k5g by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-04-14
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
3DHT
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BU of 3dht by Molmil
The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin
Descriptor: Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Neelagandan, K, Sathya Moorthy, P, Balasubramanian, M, Sundaresan, S, Ponnuswamy, M.N.
Deposit date:2008-06-18
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin
To be Published
4K5S
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BU of 4k5s by Molmil
The crystal structure of premithramycin B in complex with MTMOIV, a baeyer-villiger monooxygenase from the mithramycin biosynthetic pathway in streptomyces argillaceus.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Oxygenase, premithramycin B
Authors:Noinaj, N, Bosserman, M.A, Rohr, J, Buchanan, S.K.
Deposit date:2013-04-15
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Insight into Substrate Recognition and Catalysis of Baeyer-Villiger Monooxygenase MtmOIV, the Key Frame-Modifying Enzyme in the Biosynthesis of Anticancer Agent Mithramycin.
Acs Chem.Biol., 8, 2013
3DOE
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BU of 3doe by Molmil
Complex of ARL2 and BART, Crystal Form 1
Descriptor: ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, T, Li, S, Ding, J.
Deposit date:2008-07-04
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector
Structure, 17, 2009
3DHY
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BU of 3dhy by Molmil
Crystal Structures of Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase in Ternary Complex with Substrate and Inhibitors
Descriptor: 5'-S-ethyl-5'-thioadenosine, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Shetty, N.D, Ioerger, T.R, Gokulan, K, Reddy, M.C.M, Owen, J.L, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-06-19
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
3DIX
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BU of 3dix by Molmil
Crystallization of the Thermotoga maritima lysine riboswitch bound to lysine, K+ anomalous data
Descriptor: LYSINE, POTASSIUM ION, RNA (174-MER), ...
Authors:Serganov, A.A.
Deposit date:2008-06-21
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into amino acid binding and gene control by a lysine riboswitch.
Nature, 455, 2008
5ZW5
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BU of 5zw5 by Molmil
Structure of SeMet-spAimR
Descriptor: AimR transcriptional regulator
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-14
Release date:2018-08-29
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
4K77
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BU of 4k77 by Molmil
JAK1 kinase (JH1 domain) in complex with compound 6
Descriptor: 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one, Tyrosine-protein kinase JAK1
Authors:Eigenbrot, C, Shia, S.
Deposit date:2013-04-16
Release date:2013-10-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
3DJC
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BU of 3djc by Molmil
CRYSTAL STRUCTURE OF PANTOTHENATE KINASE FROM LEGIONELLA PNEUMOPHILA
Descriptor: GLYCEROL, Type III pantothenate kinase
Authors:Patskovsky, Y, Bonanno, J.B, Romero, R, Dickey, M, Logan, C, Wasserman, S, Maletic, M, Koss, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-06-23
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Pantothenate Kinase from Legionella Pneumophila
To be Published
3M5B
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BU of 3m5b by Molmil
Crystal structure of the BTB domain from FAZF/ZBTB32
Descriptor: Zinc finger and BTB domain-containing protein 32
Authors:Stogios, P.J, Pomroy, N.C, Prive, G.G.
Deposit date:2010-03-12
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into Strand Exchange in BTB Domain Dimers from the Crystal Structures of FAZF and Miz1.
J.Mol.Biol., 400, 2010
4K7O
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BU of 4k7o by Molmil
HUMAN PEROXIREDOXIN 5 with a fragment
Descriptor: 4-tert-butylbenzene-1,2-diol, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ...
Authors:Guichou, J.F.
Deposit date:2013-04-17
Release date:2014-04-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
3DOR
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BU of 3dor by Molmil
Crystal Structure of mature CPAF
Descriptor: Protein CT_858, SULFATE ION
Authors:Chai, J, Huang, Z.
Deposit date:2008-07-06
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
4K81
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BU of 4k81 by Molmil
Crystal structure of the Grb14 RA and PH domains in complex with GTP-loaded H-Ras
Descriptor: GLYCEROL, GTPase HRas, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Qamra, R, Hubbard, S.R.
Deposit date:2013-04-17
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the interaction of the adaptor protein grb14 with activated ras.
Plos One, 8, 2013

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