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2LJW
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BU of 2ljw by Molmil
Solution NMR structure of Alr2454 protein from Nostoc sp. strain PCC 7120, Northeast Structural Genomics Consortium Target NsR264
Descriptor: Alr2454 protein
Authors:Aramini, J.M, Lee, D, Ciccosanti, C, Janjua, H, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-29
Release date:2011-10-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of Alr2454 from Nostoc sp. PCC 7120, the first structural representative of Pfam domain family PF11267.
J.Struct.Funct.Genom., 13, 2012
5KZF
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BU of 5kzf by Molmil
Crystal structure of near full-length hexameric Mycobacterium tuberculosis proteasomal ATPase Mpa in apo form
Descriptor: Proteasome-associated ATPase
Authors:Li, H, Hu, K, Yang, S, Bai, L.
Deposit date:2016-07-25
Release date:2017-05-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease.
Mol. Microbiol., 105, 2017
2LL8
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BU of 2ll8 by Molmil
Solution NMR structure of the specialized holo-acyl carrier protein RPA2022 from Rhodopseudomonas palustris refined with NH RDCs, Northeast Structural Genomics Consortium Target RpR324
Descriptor: 4'-PHOSPHOPANTETHEINE, Specialized acyl carrier protein
Authors:Ramelot, T.A, Ni, S, Rossi, P, Yang, Y, Wang, H, Ciccosanti, C, Maglaqui, M, Janjua, H, Nair, R, Roset, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-10-31
Release date:2011-11-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations.
Biochemistry, 51, 2012
6QKZ
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BU of 6qkz by Molmil
Full length GluA1/2-gamma8 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, ...
Authors:Herguedas, B, Garcia-Nafria, J, Greger, I.G.
Deposit date:2019-01-30
Release date:2019-03-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Architecture of the heteromeric GluA1/2 AMPA receptor in complex with the auxiliary subunit TARP gamma 8.
Science, 364, 2019
6QG7
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BU of 6qg7 by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1k
Descriptor: (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wolle, P, Mueller, M.P, Rauh, D.
Deposit date:2019-01-10
Release date:2019-05-22
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
2LE1
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BU of 2le1 by Molmil
Solution NMR Structure of Tfu_2981 from Thermobifida fusca, Northeast Structural Genomics Consortium Target TfR85A
Descriptor: Uncharacterized protein
Authors:Pulavarti, S.V.S.R.K, Eletsky, A, Mills, J.L, Sukumaran, D.K, Wang, D, Ciccosanti, C, Hamilton, K, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Lee, H, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-03
Release date:2011-06-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of Tfu_2981 from Thermobifida fusca, Northeast Structural Genomics Consortium Target TfR85A
To be Published
5KY6
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BU of 5ky6 by Molmil
Human muscle fructose-1,6-bisphosphate aldolase
Descriptor: Fructose-bisphosphate aldolase A
Authors:Wisniewski, J, Barciszewski, J, Jaskolski, M, Rakus, D.
Deposit date:2016-07-21
Release date:2017-06-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Crystal structure of human muscle aldolase
To Be Published
5L1Q
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BU of 5l1q by Molmil
X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F
Descriptor: Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
6QGE
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BU of 6qge by Molmil
Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer
Descriptor: (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3
Authors:Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T.
Deposit date:2019-01-11
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
6QL0
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BU of 6ql0 by Molmil
Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine derivative
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-01-31
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.634 Å)
Cite:Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative
To Be Published
2LR8
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BU of 2lr8 by Molmil
Solution NMR Structure of CASP8-associated protein 2 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8150A
Descriptor: CASP8-associated protein 2
Authors:Pulavarti, S, Sathyamoorthy, B, Eletsky, A, Sukumaran, D.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-03-27
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of CASP8-associated protein 2 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8150A
To be Published
6QGN
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BU of 6qgn by Molmil
Crystal structure of APT1 bound to 2-Bromopalmitate
Descriptor: 2-Bromopalmitic acid, Acyl-protein thioesterase 1
Authors:Marcaida, M.J, Audagnotto, M, Ho, S, Pojer, F, Van der Goot, G, Dal Peraro, M.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Palmitoylated acyl protein thioesterase APT2 deforms membranes to extract substrate acyl chains.
Nat.Chem.Biol., 2021
6QGY
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BU of 6qgy by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with nanobody B12
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, NanoB12, Outer membrane protein assembly factor BamA
Authors:Hartmann, J.-B, Kaur, H, Jakob, R.P, Zahn, M, Zimmermann, I, Seeger, M, Maier, T, Hiller, S.
Deposit date:2019-01-14
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.509 Å)
Cite:Identification of conformation-selective nanobodies against the membrane protein insertase BamA by an integrated structural biology approach.
J.Biomol.Nmr, 73, 2019
5L31
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BU of 5l31 by Molmil
Crystal structure of an engineered metal-free RIDC1 variant containing five disulfide bonds.
Descriptor: HEME C, SODIUM ION, Soluble cytochrome b562
Authors:Tezcan, F.A, Churchfield, L.A.
Deposit date:2016-08-02
Release date:2016-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De Novo Design of an Allosteric Metalloprotein Assembly with Strained Disulfide Bonds.
J.Am.Chem.Soc., 138, 2016
6QHR
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BU of 6qhr by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine 1m
Descriptor: 1-[(3~{R})-3-[4-azanyl-3-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wolle, P, Mueller, M.P, Rauh, D.
Deposit date:2019-01-17
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
5L1S
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BU of 5l1s by Molmil
X-ray Structure of F232L mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
6QIO
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BU of 6qio by Molmil
Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the human growth hormone derivative somapacitan
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, CYSTEINE, ...
Authors:Johansson, E.
Deposit date:2019-01-21
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of Binding Sites on Human Serum Albumin for Somapacitan, a Long-Acting Growth Hormone Derivative.
Biochemistry, 59, 2020
2LOP
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BU of 2lop by Molmil
Backbone structure of human membrane protein TMEM14A
Descriptor: Transmembrane protein 14A
Authors:Eichmann, C, Klammt, C, Maslennikov, I, Kwiatkowski, W, Riek, R, Choe, S.
Deposit date:2012-01-26
Release date:2012-05-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Facile backbone structure determination of human membrane proteins by NMR spectroscopy.
Nat.Methods, 9, 2012
6QKB
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BU of 6qkb by Molmil
Crystal structure of the beta-hydroxyaspartate aldolase of Paracoccus denitrificans
Descriptor: D-3-hydroxyaspartate aldolase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Zarzycki, J, Schada von Borzyskowski, L, Gilardet, A, Erb, T.J.
Deposit date:2019-01-28
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Marine Proteobacteria metabolize glycolate via the beta-hydroxyaspartate cycle.
Nature, 575, 2019
6R16
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BU of 6r16 by Molmil
Crystal structure of the SUN1-KASH4 6:6 complex
Descriptor: 1,2-ETHANEDIOL, Nesprin-4, POTASSIUM ION, ...
Authors:Gurusaran, M, Davies, O.R.
Deposit date:2019-03-13
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A molecular mechanism for LINC complex branching by structurally diverse SUN-KASH 6:6 assemblies.
Elife, 10, 2021
2LBI
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BU of 2lbi by Molmil
N2-dG:N2-dG interstrand cross-link induced by trans-4-hydroxynonenal
Descriptor: (4S)-nonane-1,4-diol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3')
Authors:Huang, H, Kozekov, I.D, Wang, H, Kozekova, A, Rizzo, C.J, Stone, M.P.
Deposit date:2011-03-31
Release date:2012-04-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Formation of a N2-dG:N2-dG carbinolamine DNA cross-link by the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N2-dG adduct.
J.Am.Chem.Soc., 133, 2011
5L2X
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BU of 5l2x by Molmil
Crystal structure of human PrimPol ternary complex
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*GP*TP*AP*GP*CP*(DDG))-3'), ...
Authors:Rechkoblit, O, Gupta, Y.K, Malik, R, Rajashankar, K.R, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2016-08-02
Release date:2016-11-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and mechanism of human PrimPol, a DNA polymerase with primase activity.
Sci Adv, 2, 2016
6QFA
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BU of 6qfa by Molmil
CryoEM structure of a beta3K279T GABA(A)R homomer in complex with histamine and megabody Mb25
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit beta-3, HISTAMINE, ...
Authors:Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkoening, A, Zoegg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J.
Deposit date:2019-01-09
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
2LF6
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BU of 2lf6 by Molmil
Solution NMR structure of HopABPph1448_220_320 from Pseudomonas syringae pv. phaseolicola str. 1448A, Midwest Center for Structural Genomics target APC40132.4 and Northeast Structural Genomics Consortium target PsT3A
Descriptor: Effector protein hopAB1
Authors:Wu, B, Yee, A, Houliston, S, Semesi, A, Garcia, M, Singer, A.U, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2011-06-28
Release date:2011-07-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012
2LAJ
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BU of 2laj by Molmil
Third WW domain of human Nedd4L in complex with doubly phosphorylated human smad3 derived peptide
Descriptor: E3 ubiquitin-protein ligase NEDD4-like, Mothers against decapentaplegic homolog 3
Authors:Macias, M.J, Aragon, E, Goerner, N, Zaromytidou, A, Xi, Q, Escobedo, A, Massague, J.
Deposit date:2011-03-16
Release date:2011-07-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Smad action turnover switch operated by WW domain readers of a phosphoserine code.
Genes Dev., 25, 2011

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