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4GON
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BU of 4gon by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Indole Aza-SAM
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosine, DNA adenine methylase
Authors:Harmer, J.E, Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
3GEM
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BU of 3gem by Molmil
Crystal structure of short-chain dehydrogenase from Pseudomonas syringae
Descriptor: ACETATE ION, Short chain dehydrogenase
Authors:Osipiuk, J, Xu, X, Cui, H, Nocek, B, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-02-25
Release date:2009-03-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:X-ray crystal structure of short-chain dehydrogenase from Pseudomonas syringae.
To be Published
4NAP
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BU of 4nap by Molmil
Crystal structure of a trap periplasmic solute binding protein from Desulfovibrio alaskensis G20 (DDE_0634), target EFI-510102, with bound d-tryptophan
Descriptor: D-TRYPTOPHAN, Extracellular solute-binding protein, family 7
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-22
Release date:2013-11-13
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
3GFC
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BU of 3gfc by Molmil
Crystal Structure of Histone-binding protein RBBP4
Descriptor: Histone-binding protein RBBP4
Authors:Amaya, M.F, Dong, A, Li, Z, He, H, Ni, S, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-02-26
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
3P96
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BU of 3p96 by Molmil
Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium, native form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-10-15
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.Struct.Funct.Genom., 12, 2011
3P9R
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BU of 3p9r by Molmil
Structure of I274G variant of E. coli KatE
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII
Authors:Loewen, P.C, Jha, V, Louis, S, Chelikani, P, Carpena, X, Fita, I.
Deposit date:2010-10-18
Release date:2010-12-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of heme orientation and binding by a single residue in catalase HPII of Escherichia coli.
Biochemistry, 50, 2011
4H02
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BU of 4h02 by Molmil
Crystal structure of P. falciparum Lysyl-tRNA synthetase
Descriptor: Lysyl-tRNA synthetase
Authors:Khan, S, Garg, A, Sharma, A.
Deposit date:2012-09-07
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.905 Å)
Cite:Structural analysis of malaria-parasite lysyl-tRNA synthetase provides a platform for drug development.
Acta Crystallogr.,Sect.D, 69, 2013
3GHB
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BU of 3ghb by Molmil
Crystal structure of anti-HIV-1 Fab 447-52D in complex with V3 peptide W2RW020
Descriptor: Envelope glycoprotein, Fab 447-52D, heavy chain, ...
Authors:Kong, X.P, Burke, V.J.
Deposit date:2009-03-03
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis of the cross-reactivity of genetically related human anti-HIV-1 mAbs: implications for design of V3-based immunogens
Structure, 17, 2009
4NAW
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BU of 4naw by Molmil
Crystal Structure of Human ATG12~ATG5-ATG16N in complex with a fragment of ATG3
Descriptor: Autophagy protein 5, Autophagy-related protein 16-1, SODIUM ION, ...
Authors:Metlagel, Z, Otomo, C, Takaesu, G, Otomo, T.
Deposit date:2013-10-22
Release date:2013-11-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Structural basis of ATG3 recognition by the autophagic ubiquitin-like protein ATG12.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H2Y
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BU of 4h2y by Molmil
Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and ATP
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, Amino acid--[acyl-carrier-protein] ligase 1, ...
Authors:Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M.
Deposit date:2012-09-13
Release date:2013-03-06
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
4N1Y
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BU of 4n1y by Molmil
Crystal Structure of the Pacific Oyster Estrogen Receptor Ligand Binding Domain
Descriptor: Estrogen receptor
Authors:Ortlund, E.O.
Deposit date:2013-10-04
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.605 Å)
Cite:Vestigialization of an allosteric switch: genetic and structural mechanisms for the evolution of constitutive activity in a steroid hormone receptor.
PLoS Genet, 10, 2014
4N36
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BU of 4n36 by Molmil
Structure of langerin CRD I313 D288 complexed with Me-GlcNAc
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, MAGNESIUM ION, ...
Authors:Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2013-10-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
4GSL
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BU of 4gsl by Molmil
Crystal structure of an Atg7-Atg3 crosslinked complex
Descriptor: Autophagy-related protein 3, Ubiquitin-like modifier-activating enzyme ATG7, ZINC ION
Authors:Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A.
Deposit date:2012-08-27
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures.
Nat.Struct.Mol.Biol., 19, 2012
3DON
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BU of 3don by Molmil
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis
Descriptor: GLYCEROL, Shikimate dehydrogenase
Authors:Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H.
Deposit date:2008-07-05
Release date:2009-05-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
3PCR
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BU of 3pcr by Molmil
Structure of EspG-Arf6 complex
Descriptor: ADP-ribosylation factor 6, EspG, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Tomchick, D.R, Alto, N.M, Selyunin, A.S.
Deposit date:2010-10-21
Release date:2011-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The assembly of a GTPase-kinase signalling complex by a bacterial catalytic scaffold.
Nature, 469, 2011
4H3F
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BU of 4h3f by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Descriptor: 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Mandal, M.
Deposit date:2012-09-13
Release date:2012-11-07
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4H6A
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BU of 4h6a by Molmil
Crystal Structure of the Allene Oxide Cyclase 2 from Physcomitrella patens
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Allene oxide cyclase, ...
Authors:Neumann, P, Ficner, R.
Deposit date:2012-09-19
Release date:2012-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
4H86
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BU of 4h86 by Molmil
Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form
Descriptor: Peroxiredoxin type-2
Authors:Liu, M, Wang, F, Qiu, R, Wu, T, Gu, S, Tang, R, Ji, C.
Deposit date:2012-09-21
Release date:2012-10-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form
To be Published
4NLU
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BU of 4nlu by Molmil
Poliovirus Polymerase - G289A Loop Mutant
Descriptor: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
Authors:Sholders, A.J, Peersen, O.B.
Deposit date:2013-11-14
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
4NM9
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BU of 4nm9 by Molmil
Crystal structure of the resting state of proline utilization A (PutA) from Geobacter sulfurreducens PCA
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Proline dehydrogenase and Delta-1-pyrroline-5-carboxylate dehydrogenase
Authors:Singh, H, Tanner, J.J.
Deposit date:2013-11-14
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site.
Proc.Natl.Acad.Sci.USA, 111, 2014
3PD8
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BU of 3pd8 by Molmil
X-ray structure of the ligand-binding core of GluA2 in complex with (S)-7-HPCA at 2.5 A resolution
Descriptor: (7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid, ACETIC ACID, CACODYLATE ION, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2010-10-22
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.476 Å)
Cite:Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010
3DZT
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BU of 3dzt by Molmil
AeD7-leukotriene E4 complex
Descriptor: (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Andersen, J.F, Calvo, E, Mans, B.J, Ribeiro, J.M.
Deposit date:2008-07-30
Release date:2009-02-03
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Proc.Natl.Acad.Sci.USA, 106, 2009
4NHA
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BU of 4nha by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 16-mer siRNA having 5'-p and UU-3' ends (3.4 Angstrom resolution)
Descriptor: 5'-R(P*GP*CP*GP*UP*UP*GP*GP*CP*CP*AP*AP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer
Authors:Simanshu, D.K, Tian, Y, Ma, J.-B, Patel, D.J.
Deposit date:2013-11-04
Release date:2014-03-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
3DTB
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BU of 3dtb by Molmil
The structure of rat cytosolic PEPCK in complex with phosphoglycolate and GDP
Descriptor: 2-PHOSPHOGLYCOLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ...
Authors:Sullivan, S.M, Holyoak, T.
Deposit date:2008-07-14
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3PCO
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BU of 3pco by Molmil
crystal structure of E. coli phenylalanine-tRNA synthetase complexed with phenylalanine and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, PHENYLALANINE, Phenylalanyl-tRNA synthetase, ...
Authors:Mermershtain, I, Finarov, I, Klipcan, L, Kessler, N, Rozenberg, H, Safro, M.G.
Deposit date:2010-10-21
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Idiosyncrasy and identity in the prokaryotic phe-system: crystal structure of E. coli phenylalanyl-tRNA synthetase complexed with phenylalanine and AMP.
Protein Sci., 20, 2011

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