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4UPO
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BU of 4upo by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UH3
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BU of 4uh3 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UDR
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BU of 4udr by Molmil
Crystal structure of the H467A mutant of 5-hydroxymethylfurfural oxidase (HMFO)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, GLUCOSE-METHANOL-CHOLINE OXIDOREDUCTASE
Authors:Dijkman, W, Binda, C, Fraaije, M, Mattevi, A.
Deposit date:2014-12-11
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Enzyme Tailoring of 5-Hydroxymethylfurfural Oxidase
Acs Catalysis, 5, 2015
4UPN
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BU of 4upn by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UDQ
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BU of 4udq by Molmil
Crystal structure of 5-hydroxymethylfurfural oxidase (HMFO) in the reduced state
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, GLUCOSE-METHANOL-CHOLINE OXIDOREDUCTASE
Authors:Dijkman, W, Binda, C, Fraaije, M, Mattevi, A.
Deposit date:2014-12-11
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Enzyme Tailoring of 5-Hydroxymethylfurfural Oxidase
Acs Catalysis, 5, 2015
4UW6
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BU of 4uw6 by Molmil
Human galectin-7 in complex with a galactose based dendron D3
Descriptor: DENDRON-D3, GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4UX2
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BU of 4ux2 by Molmil
Cryo-EM structure of antagonist-bound E2P gastric H,K-ATPase (SCH.E2. MgF)
Descriptor: POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1, POTASSIUM-TRANSPORTING ATPASE SUBUNIT BETA
Authors:Abe, K, Tani, K, Fujiyoshi, Y.
Deposit date:2014-08-18
Release date:2014-09-17
Last modified:2014-11-12
Method:ELECTRON CRYSTALLOGRAPHY (7 Å)
Cite:Systematic Comparison of Molecular Conformations of H+,K+-ATPase Reveals an Important Contribution of the A-M2 Linker for the Luminal Gating.
J.Biol.Chem., 289, 2014
4V48
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BU of 4v48 by Molmil
Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the initiation-like state of E. coli 70S ribosome
Descriptor: 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J.
Deposit date:2003-05-06
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (11.5 Å)
Cite:Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
4V4G
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BU of 4v4g by Molmil
Crystal structure of five 70s ribosomes from Escherichia Coli in complex with protein Y.
Descriptor: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S ribosomal protein S10, ...
Authors:Vila-Sanjurjo, A, Schuwirth, B.S, Hau, C.W, Cate, J.H.
Deposit date:2004-10-06
Release date:2014-07-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (11.5 Å)
Cite:Structural basis for the control of translation initiation during stress.
Nat.Struct.Mol.Biol., 11, 2004
4V9D
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BU of 4v9d by Molmil
Structures of the bacterial ribosome in classical and hybrid states of tRNA binding
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Dunkle, J.A, Wang, L, Feldman, M.B, Pulk, A, Chen, V.B, Kapral, G.J, Noeske, J, Richardson, J.S, Blanchard, S.C, Cate, J.H.D.
Deposit date:2012-07-31
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the bacterial ribosome in classical and hybrid states of tRNA binding.
Science, 332, 2011
4V73
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BU of 4v73 by Molmil
E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in hybrid pre-translocation state (pre5a)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H.
Deposit date:2013-10-14
Release date:2014-07-09
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (15 Å)
Cite:Energy barriers and driving forces in tRNA translocation through the ribosome.
Nat.Struct.Mol.Biol., 20, 2013
4WDT
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BU of 4wdt by Molmil
17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol
Descriptor: 2-nitro-5-(phenylsulfonyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2014-09-09
Release date:2015-04-15
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
4UZU
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BU of 4uzu by Molmil
Three-dimensional structure of a variant `Termamyl-like' Geobacillus stearothermophilus alpha-amylase at 1.9 A resolution
Descriptor: ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION, ...
Authors:Offen, W.A, Anderson, C, Borchert, T.V, Wilson, K.S, Davies, G.J.
Deposit date:2014-09-09
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Three-Dimensional Structure of a Variant `Termamyl-Like' Geobacillus Stearothermophilus Alpha-Amylase at 1.9 A Resolution
Acta Crystallogr.,Sect.F, 71, 2015
4V54
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BU of 4v54 by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with ribosome recycling factor (RRF).
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D.
Deposit date:2007-06-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for aminoglycoside inhibition of bacterial ribosome recycling.
Nat.Struct.Mol.Biol., 14, 2007
4UR9
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BU of 4ur9 by Molmil
Structure of ligand bound glycosylhydrolase
Descriptor: 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ...
Authors:Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E.
Deposit date:2014-06-27
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UW4
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BU of 4uw4 by Molmil
Human galectin-7 in complex with a galactose based dendron D2-1.
Descriptor: DENDRON D2-1, GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4V76
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BU of 4v76 by Molmil
E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in intermediate post-translocation state (post2a)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H.
Deposit date:2013-10-14
Release date:2014-07-09
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (17 Å)
Cite:Energy barriers and driving forces in tRNA translocation through the ribosome.
Nat.Struct.Mol.Biol., 20, 2013
4V6C
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BU of 4v6c by Molmil
Crystal structure of the E. coli 70S ribosome in an intermediate state of ratcheting
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Zhang, W, Dunkle, J.A, Cate, J.H.D.
Deposit date:2009-06-27
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structures of the ribosome in intermediate States of ratcheting.
Science, 325, 2009
4V52
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BU of 4v52 by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with neomycin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D.
Deposit date:2007-06-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for aminoglycoside inhibition of bacterial ribosome recycling.
Nat.Struct.Mol.Biol., 14, 2007
4V7V
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BU of 4v7v by Molmil
Crystal structure of the E. coli ribosome bound to clindamycin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Dunkle, J.A, Xiong, L, Mankin, A.S, Cate, J.H.D.
Deposit date:2010-08-16
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (3.2891 Å)
Cite:Structures of the Escherichia coli ribosome with antibiotics bound near the peptidyl transferase center explain spectra of drug action.
Proc.Natl.Acad.Sci.USA, 107, 2010
4V5H
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BU of 4v5h by Molmil
E.Coli 70s Ribosome Stalled During Translation Of Tnac Leader Peptide.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Seidelt, B, Innis, C.A, Wilson, D.N, Gartmann, M, Armache, J, Villa, E, Trabuco, L.G, Becker, T, Mielke, T, Schulten, K, Steitz, T.A, Beckmann, R.
Deposit date:2009-10-26
Release date:2014-07-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structural insight into nascent polypeptide chain-mediated translational stalling.
Science, 326, 2009
4V4Q
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BU of 4v4q by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli at 3.5 A resolution.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Schuwirth, B.S, Borovinskaya, M.A, Hau, C.W, Zhang, W, Vila-Sanjurjo, A, Holton, J.M, Cate, J.H.D.
Deposit date:2005-08-30
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structures of the bacterial ribosome at 3.5 A resolution.
Science, 310, 2005
4U20
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BU of 4u20 by Molmil
Crystal structure of the E. coli ribosome bound to flopristin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
Deposit date:2014-07-16
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
4U27
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BU of 4u27 by Molmil
Crystal structure of the E. coli ribosome bound to flopristin and linopristin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
Deposit date:2014-07-16
Release date:2014-07-30
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
4V3U
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BU of 4v3u by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl) propan-1-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015

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