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4IH6
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Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione, RNA-directed RNA polymerase
Authors:Harris, S.F, Wong, A.
Deposit date:2012-12-18
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
3P39
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BU of 3p39 by Molmil
Crystal structure of the NS1 effector domain W182A mutant from influenza A/Vietnam/1203/2004 (H5N1) virus
Descriptor: Nonstructural protein 1
Authors:Chen, S, Xiao, Y.B, Bricogne, G, Sharff, A.J, Hilgenfeld, R.
Deposit date:2010-10-04
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
4IKH
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BU of 4ikh by Molmil
Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound
Descriptor: CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase
Authors:Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-12-26
Release date:2013-01-16
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound
To be Published
4IL6
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BU of 4il6 by Molmil
Structure of Sr-substituted photosystem II
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R.
Deposit date:2012-12-29
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation
Proc.Natl.Acad.Sci.USA, 110, 2013
4IK7
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BU of 4ik7 by Molmil
Crystal structure of human transthyretin in complex with indomethacin
Descriptor: INDOMETHACIN, Transthyretin
Authors:Lima, L.M.T.R.
Deposit date:2012-12-25
Release date:2013-01-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human transthyretin in complex with indomethacin
To be Published
4IKV
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BU of 4ikv by Molmil
Crystal structure of peptide transporter POT
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Di-tripeptide ABC transporter (Permease), OLEIC ACID, ...
Authors:Doki, S, Kato, H.E, Ishitani, R, Nureki, O.
Deposit date:2012-12-28
Release date:2013-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IH7
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BU of 4ih7 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: 3-(3-tert-butylphenyl)pyridin-2(1H)-one, RNA-directed RNA polymerase, ZINC ION
Authors:Harris, S.F, Wong, A.
Deposit date:2012-12-18
Release date:2013-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4IDB
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BU of 4idb by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Ripening-induced protein, ...
Authors:Schiefner, A, Skerra, A.
Deposit date:2012-12-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
4IHL
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BU of 4ihl by Molmil
Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A
Descriptor: (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ...
Authors:Molzan, M, Ottmann, C.
Deposit date:2012-12-19
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
4IIM
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BU of 4iim by Molmil
Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide
Descriptor: Intersectin-1, UNKNOWN ATOM OR ION, peptide ligand
Authors:Dong, A, Guan, X, Huang, H, Wernimont, A, Gu, J, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2012-12-20
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide
To be Published
4IIN
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BU of 4iin by Molmil
Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+
Descriptor: 3-ketoacyl-acyl carrier protein reductase (FabG), ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-20
Release date:2013-01-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+
To be Published
4IFT
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BU of 4ift by Molmil
Crystal structure of double mutant thermostable NPPase from Geobacillus stearothermophilus
Descriptor: Thermostable NPPase
Authors:Guo, Z, Huang, J, Wang, F, Qiu, R, Wang, Y, Ji, C.
Deposit date:2012-12-15
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Crystal structure of thermostable NPPase from Geobacillus stearothermophilus
To be Published
3OWC
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BU of 3owc by Molmil
Crystal structure of GNAT superfamily protein PA2578 from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, COENZYME A, Probable acetyltransferase
Authors:Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-09-17
Release date:2010-11-03
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of GNAT superfamily protein PA2578 from Pseudomonas aeruginosa
To be Published
4IG1
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BU of 4ig1 by Molmil
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, Mg(II)-AMP product bound form
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, ...
Authors:Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2012-12-15
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4318 Å)
Cite:The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis.
J.Biol.Chem., 288, 2013
4IJF
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BU of 4ijf by Molmil
Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain K222A/R225A/K248A/K251A mutant
Descriptor: Polymerase cofactor VP35
Authors:Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K.
Deposit date:2012-12-21
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Development of RNA Aptamers Targeting Ebola Virus VP35.
Biochemistry, 52, 2013
3OXA
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BU of 3oxa by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida
Descriptor: Steroid Delta-isomerase
Authors:Sigala, P.A, Fenn, T.D, Herschlag, D.
Deposit date:2010-09-21
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4IL5
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BU of 4il5 by Molmil
Crystal structure of O-Acetyl Serine Sulfhydrylase from Entamoeba histolytica in complex with isoleucine
Descriptor: Cysteine synthase, ISOLEUCINE, SULFATE ION
Authors:Raj, I, Gourinath, S.
Deposit date:2012-12-29
Release date:2013-12-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular basis of ligand recognition by OASS from E. histolytica: insights from structural and molecular dynamics simulation studies
Biochim.Biophys.Acta, 1830, 2013
4IBY
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BU of 4iby by Molmil
Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation S240R
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION
Authors:Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z.
Deposit date:2012-12-09
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
3OXL
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BU of 3oxl by Molmil
Human lysine methyltransferase Smyd3 in complex with AdoHcy (Form II)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding
Nucleic Acids Res., 39, 2011
4IMF
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BU of 4imf by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Acetylneuraminic acid
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, CHLORIDE ION, ...
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4IDG
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BU of 4idg by Molmil
Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound NAD, monoclinic form 2
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Vetting, M.W, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-12-12
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound NAD, monoclinic form 2
To be Published
1XI8
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BU of 1xi8 by Molmil
Molybdenum cofactor biosynthesis protein from Pyrococcus furiosus Pfu-1657500-001
Descriptor: Molybdenum cofactor biosynthesis protein
Authors:Zhou, W, Zhao, M, Chang, J.C, Liu, Z.-J, Chen, L, Horanyi, P, Xu, H, Yang, H, Habel, J.E, Lee, D, Chang, S.-H, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-21
Release date:2004-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Molybdenum cofactor biosynthesis protein from Pyrococcus furiosus Pfu-1657500-001
To be published
4IN6
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BU of 4in6 by Molmil
(M)L214A mutant of the Rhodobacter sphaeroides Reaction Center
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Saer, R.G, Hardjasa, A, Murphy, M.E.P, Beatty, J.T.
Deposit date:2013-01-04
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Role of Rhodobacter sphaeroides Photosynthetic Reaction Center Residue M214 in the Composition, Absorbance Properties, and Conformations of HA and BA Cofactors.
Biochemistry, 52, 2013
4IFZ
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BU of 4ifz by Molmil
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, Mn(II)-AMP product bound form
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2012-12-15
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9012 Å)
Cite:The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis.
J.Biol.Chem., 288, 2013
4IGR
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BU of 4igr by Molmil
Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist ZA302
Descriptor: (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid, CHLORIDE ION, Glutamate receptor, ...
Authors:Larsen, A.P, Venskutonyte, R, Gajhede, M, Kastrup, J.S, Frydenvang, K.
Deposit date:2012-12-18
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters.
J.Med.Chem., 56, 2013

223790

PDB entries from 2024-08-14

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