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3P23
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BU of 3p23 by Molmil
Crystal structure of the Human kinase and RNase domains in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Ali, M.M.U, Pearl, L.H.
Deposit date:2010-10-01
Release date:2011-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Ire1 autophosphorylation complex and implications for the unfolded protein response.
Embo J., 30, 2011
3S04
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BU of 3s04 by Molmil
Crystal structure of Escherichia coli type I signal peptidase in complex with an Arylomycin Lipoglycopeptide Antibiotic
Descriptor: 14-methylhexadec-9-enoic acid, Glyco-Arylomycin, Signal peptidase I, ...
Authors:Paetzel, M, Luo, C.
Deposit date:2011-05-13
Release date:2011-10-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Synthesis and characterization of the arylomycin lipoglycopeptide antibiotics and the crystallographic analysis of their complex with signal peptidase.
J.Am.Chem.Soc., 133, 2011
3RTV
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BU of 3rtv by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with natural primer/template DNA
Descriptor: (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Marx, A, Diederichs, K, Betz, K.
Deposit date:2011-05-04
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3SIT
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BU of 3sit by Molmil
Crystal structure of porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Outer capsid protein VP4, ...
Authors:Blanchard, H, Yu, X.
Deposit date:2011-06-20
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel structural insights into rotavirus recognition of ganglioside glycan receptors.
J.Mol.Biol., 413, 2011
3SIS
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BU of 3sis by Molmil
Crystal structure of Porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3_Gc
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Outer capsid protein VP4, ...
Authors:Blanchard, H, Yu, X.
Deposit date:2011-06-20
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel structural insights into rotavirus recognition of ganglioside glycan receptors.
J.Mol.Biol., 413, 2011
3SV4
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BU of 3sv4 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dT as templating nucleobase
Descriptor: (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2011-07-12
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3SYZ
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BU of 3syz by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dNaM as templating nucleobase
Descriptor: (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2011-07-18
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3SZ2
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BU of 3sz2 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dG as templating nucleobase
Descriptor: (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), DNA polymerase I, ...
Authors:Betz, K, Marx, A, Diederichs, K.
Deposit date:2011-07-18
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3SV3
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BU of 3sv3 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dNaM-d5SICSTP
Descriptor: (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), 2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2011-07-12
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3TB0
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BU of 3tb0 by Molmil
Crystal structure of Rhesus Rotavirus VP8* in complex with N-Glycolylneuraminic acid
Descriptor: GLYCEROL, Outer capsid protein VP4, PENTAETHYLENE GLYCOL, ...
Authors:Yu, X, Blanchard, H.
Deposit date:2011-08-04
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Rotavirus Strain Preference toward N-Acetyl- or N-Glycolylneuraminic Acid-Containing Receptors.
J.Virol., 86, 2012
3TAY
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BU of 3tay by Molmil
Crystal structure of porcine rotavirus CRW-8 VP8* in complex with N-glycolylneuraminic acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZAMIDINE, ...
Authors:Yu, X, Blanchard, H.
Deposit date:2011-08-04
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis of Rotavirus Strain Preference toward N-Acetyl- or N-Glycolylneuraminic Acid-Containing Receptors.
J.Virol., 86, 2012
3U26
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BU of 3u26 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48
Descriptor: PF00702 domain protein
Authors:Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-09-30
Release date:2011-11-23
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction.
Acs Chem.Biol., 8, 2013
5K2H
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BU of 5k2h by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P212121 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2E
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BU of 5k2e by Molmil
Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED
Descriptor: ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2F
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BU of 5k2f by Molmil
Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED
Descriptor: ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2G
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BU of 5k2g by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P21 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KOJ
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BU of 5koj by Molmil
Nitrogenase MoFeP protein in the IDS oxidized state
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
Authors:Owens, C.P, Tezcan, F.A.
Deposit date:2016-06-30
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer.
J.Am.Chem.Soc., 138, 2016
5KZS
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BU of 5kzs by Molmil
Listeria monocytogenes internalin-like protein lmo2027
Descriptor: Putative cell surface protein, similar to internalin proteins
Authors:Light, S.H, Nocadello, S, Minasov, G, Cardona-Correa, A, Kwon, K, Faralla, C, Bakardjiev, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-07-25
Release date:2017-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Listeria monocytogenes InlP interacts with afadin and facilitates basement membrane crossing.
Plos Pathog., 14, 2018
5KOH
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BU of 5koh by Molmil
Nitrogenase MoFeP from Gluconacetobacter diazotrophicus in dithionite reduced state
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
Authors:Owens, C.P, Tezcan, F.A.
Deposit date:2016-06-30
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer.
J.Am.Chem.Soc., 138, 2016
6I9J
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BU of 6i9j by Molmil
Human transforming growth factor beta2 in a tetragonal crystal form
Descriptor: Transforming growth factor beta-2 proprotein
Authors:Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T.
Deposit date:2018-11-23
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation.
Sci Rep, 9, 2019
4LLP
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BU of 4llp by Molmil
Crystal structure of PDE10A2 with fragment ZT401
Descriptor: 4-amino-2-methylphenol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM4
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BU of 4lm4 by Molmil
Crystal structure of PDE10A2 with fragment ZT902
Descriptor: NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, quinazolin-4(1H)-one
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-10
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LKQ
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BU of 4lkq by Molmil
Crystal structure of PDE10A2 with fragment ZT017
Descriptor: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-08
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM3
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BU of 4lm3 by Molmil
Crystal structure of PDE10A2 with fragment ZT464
Descriptor: 1,2-ETHANEDIOL, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, NICKEL (II) ION, ...
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM1
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BU of 4lm1 by Molmil
Crystal structure of PDE10A2 with fragment ZT450
Descriptor: 5-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014

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