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4NQY
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The reduced form of MJ0499
Descriptor: Isopropylmalate/citramalate isomerase large subunit, ZINC ION
Authors:Hwang, K.Y, Lee, E.H, Lee, K.
Deposit date:2013-11-26
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural characterization and comparison of the large subunits of IPM isomerase and homoaconitase from Methanococcus jannaschii
Acta Crystallogr.,Sect.D, 70, 2014
4NU0
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Crystal structure of Adenylate kinase from Streptococcus pneumoniae with Ap5A
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION
Authors:Thach, T.T, Luong, T.T, Lee, S.H, Rhee, D.K.
Deposit date:2013-12-03
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.485 Å)
Cite:Adenylate kinase from Streptococcus pneumoniae is essential for growth through its catalytic activity
FEBS Open Bio, 4, 2014
4NUR
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Crystal structure of thermostable alkylsulfatase SdsAP from Pseudomonas sp. S9
Descriptor: MAGNESIUM ION, PSdsA, ZINC ION
Authors:Sun, L.F, Su, Y.T, Zhao, Y.H, Cai, Z.X, Wu, Y.
Deposit date:2013-12-04
Release date:2014-12-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Crystal structure of thermostable alkylsulfatase SdsAP from Pseudomonas sp. S9
To be Published
4NJM
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Crystal Structure of phosphoglycerate bound 3-phosphoglycerate dehydrogenase in Entamoeba histolytica
Descriptor: 3-PHOSPHOGLYCERIC ACID, D-3-phosphoglycerate dehydrogenase, putative
Authors:Singh, R.K, Gourinath, S.
Deposit date:2013-11-11
Release date:2014-10-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structures and kinetics of Type III 3-phosphoglycerate dehydrogenase reveal catalysis by lysine.
Febs J., 281, 2014
4NWK
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Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
Descriptor: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
Authors:Muckelbauer, J.K, Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4H8E
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Structure of S. aureus undecaprenyl diphosphate synthase in complex with FPP and sulfate
Descriptor: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-22
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4NLK
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Structure of human DNA polymerase beta complexed with 8BrG in the template base-paired with incoming non-hydrolyzable CTP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', ...
Authors:Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
Deposit date:2013-11-14
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
4O2G
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Crystal structure of carbomonoxy murine neuroglobin mutant V140W
Descriptor: CARBON MONOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Avella, G, Savino, C, Vallone, B.
Deposit date:2013-12-17
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4JYA
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Crystal structures of pseudouridinilated stop codons with ASLs
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
Deposit date:2013-03-29
Release date:2013-06-26
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
4J9S
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Human DNA polymerase eta-DNA translocated binary complex: with TA base pair
Descriptor: DNA (5'-D(*T*AP*TP*TP*TP*AP*TP*GP*AP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*TP*CP*AP*TP*A)-3'), DNA polymerase eta, ...
Authors:Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
Deposit date:2013-02-16
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JV5
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Crystal structures of pseudouridinilated stop codons with ASLs
Descriptor: 16S ribosomal RNA, 30S ribosomal protein 20, 30S ribosomal protein S10, ...
Authors:Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
Deposit date:2013-03-25
Release date:2013-06-26
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (3.162 Å)
Cite:Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
4JKY
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Cobalt between two ADP's in the active site of adenylate kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, COBALT (II) ION
Authors:Cho, Y.-J, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.373 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLB
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Crystal Structures of Adenylate kinase with 2ADP's
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Kern, D.
Deposit date:2013-03-12
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4NZI
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BU of 4nzi by Molmil
Crystal structure of murine neuroglobin mutant V140W
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Avella, G, Savino, C, Vallone, B.
Deposit date:2013-12-12
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4NZG
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Crystal Structure of the N-terminal domain of Moloney murine leukemia virus integrase, Northeast Structural Genomics Consortium Target OR3
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, Integrase p46, ...
Authors:Guan, R, Jiang, M, Janjua, H, Maglaqui, M, Zhao, L, Xiao, R, Acton, T.B, Everett, J.K, Roth, M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-12-12
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:X-ray crystal structure of the N-terminal region of Moloney murine leukemia virus integrase and its implications for viral DNA recognition.
Proteins, 85, 2017
4O07
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Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease
Descriptor: 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha
Authors:Zuccola, H.J, Ernst, J.T.
Deposit date:2013-12-13
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.
J.Med.Chem., 57, 2014
4K09
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Crystal structure of BbTX-II from Bothrops brazili venom
Descriptor: BbTX-II
Authors:Fernandes, C.A.H, Comparetti, E.J, Borges, R.J, Fontes, M.R.M.
Deposit date:2013-04-03
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.107 Å)
Cite:Structural bases for a complete myotoxic mechanism: Crystal structures of two non-catalytic phospholipases A2-like from Bothrops brazili venom.
Biochim.Biophys.Acta, 1834, 2013
4K06
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Crystal structure of MTX-II from Bothrops brazili venom complexed with polyethylene glycol
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, MTX-II, ...
Authors:Fernandes, C.A.H, Comparetti, E.J, Borges, R.J, Fontes, M.R.M.
Deposit date:2013-04-03
Release date:2013-11-13
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural bases for a complete myotoxic mechanism: Crystal structures of two non-catalytic phospholipases A2-like from Bothrops brazili venom.
Biochim.Biophys.Acta, 1834, 2013
4K0K
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Crystal structure of the Thermus thermophilus 30S ribosomal subunit complexed with a serine-ASL and mRNA containing a stop codon
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V.
Deposit date:2013-04-04
Release date:2013-06-26
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
4JYU
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BU of 4jyu by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-01
Release date:2013-07-24
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JZK
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BU of 4jzk by Molmil
Crystal Structure of Adenylate kinase of E. Coli with ADP/AMP bound
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Cho, Y.-J, Agafonov, R, Kern, D.
Deposit date:2013-04-03
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of E. Coli Adenylate kinase with ADP and AMP bound
To be Published
4K38
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Native anSMEcpe with bound AdoMet and Kp18Cys peptide
Descriptor: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, GLYCEROL, ...
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2013-04-10
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
4K5N
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Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:McGowan, S.
Deposit date:2013-04-15
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum.
J.Med.Chem., 56, 2013
4JYV
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Structure of factor VIIA in complex with the inhibitor (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE
Descriptor: (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-01
Release date:2013-07-24
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4KAF
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Crystal Structure of Haloalkane dehalogenase HaloTag7 at the resolution 1.5A, Northeast Structural Genomics Consortium (NESG) Target OR151
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, ...
Authors:Kuzin, A.P, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-22
Release date:2013-06-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:Northeast Structural Genomics Consortium Target OR151
To be Published

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