1GW1
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![BU of 1gw1 by Molmil](/molmil-images/mine/1gw1) | Substrate distortion by beta-mannanase from Pseudomonas cellulosa | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINITROPHENYLENE, MANNAN ENDO-1,4-BETA-MANNOSIDASE, ... | Authors: | Ducros, V, Zechel, D.L, Gilbert, H.J, Szabo, L, Withers, S.G, Davies, G.J. | Deposit date: | 2002-03-01 | Release date: | 2002-09-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State Angew.Chem.Int.Ed.Engl., 41, 2002
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4KRR
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![BU of 4krr by Molmil](/molmil-images/mine/4krr) | Crystal structure of Drosophila WntD N-terminal domain-linker (residues 31-240) | Descriptor: | GLYCEROL, SODIUM ION, Wnt inhibitor of Dorsal protein | Authors: | Chu, M.L.-H, Choi, H.-J, Ahn, V.E, Daniels, D.L, Nusse, R, Weis, W.I. | Deposit date: | 2013-05-16 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Structural Studies of Wnts and Identification of an LRP6 Binding Site. Structure, 21, 2013
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4JLW
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![BU of 4jlw by Molmil](/molmil-images/mine/4jlw) | Crystal structure of formaldehyde dehydrogenase from Pseudomonas aeruginosa | Descriptor: | Glutathione-independent formaldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | Authors: | Chen, S, Liao, Y.P, Wang, D.L, Wang, S, Ding, J.F, Wang, Y.M, Cai, L.J, Ran, X.Y, Zhu, H.X. | Deposit date: | 2013-03-13 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of formaldehyde dehydrogenase from Pseudomonas aeruginosa: the binary complex with the cofactor NAD+. Acta Crystallogr.,Sect.F, 69, 2013
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4J5P
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![BU of 4j5p by Molmil](/molmil-images/mine/4j5p) | Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | Descriptor: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Otrubova, K, Brown, M, McCormick, M.S, Han, G.W, O'Neal, S.T, Cravatt, B.F, Stevens, R.C, Lichtman, A.H, Boger, D.L. | Deposit date: | 2013-02-08 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues. J.Am.Chem.Soc., 135, 2013
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4M65
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![BU of 4m65 by Molmil](/molmil-images/mine/4m65) | In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ... | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | Deposit date: | 2013-08-08 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Hitting the target: fragment screening with acoustic in situ
co-crystallization of proteins plus fragment libraries on
pin-mounted data-collection micromeshes Acta Crystallogr.,Sect.D, D70
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4KT1
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![BU of 4kt1 by Molmil](/molmil-images/mine/4kt1) | Complex of R-spondin 1 with LGR4 extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing G-protein coupled receptor 4, ... | Authors: | Wang, X.Q, Wang, D.L. | Deposit date: | 2013-05-19 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structural basis for R-spondin recognition by LGR4/5/6 receptors Genes Dev., 27, 2013
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4LTQ
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![BU of 4ltq by Molmil](/molmil-images/mine/4ltq) | Bacterial sodium channel in low calcium, P42 space group | Descriptor: | Ion transport protein | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | Deposit date: | 2013-07-23 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels. J.Mol.Biol., 426, 2014
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4LTP
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![BU of 4ltp by Molmil](/molmil-images/mine/4ltp) | Bacterial sodium channel in high calcium, I222 space group, crystal 2 | Descriptor: | CALCIUM ION, Ion transport protein | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | Deposit date: | 2013-07-23 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels. J.Mol.Biol., 426, 2014
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4MLM
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![BU of 4mlm by Molmil](/molmil-images/mine/4mlm) | Crystal Structure of PhnZ from uncultured bacterium HF130_AEPn_1 | Descriptor: | FE (III) ION, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | van Staalduinen, L.M, McSorley, F.R, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2013-09-06 | Release date: | 2014-04-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates. Proc.Natl.Acad.Sci.USA, 111, 2014
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4LTO
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![BU of 4lto by Molmil](/molmil-images/mine/4lto) | Bacterial sodium channel in high calcium, I222 space group | Descriptor: | CALCIUM ION, Ion transport protein, NICKEL (II) ION | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | Deposit date: | 2013-07-23 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels. J.Mol.Biol., 426, 2014
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4LTR
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![BU of 4ltr by Molmil](/molmil-images/mine/4ltr) | Bacterial sodium channel, His245Gly mutant, I222 space group | Descriptor: | Ion transport protein | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | Deposit date: | 2013-07-23 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.8 Å) | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels. J.Mol.Biol., 426, 2014
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4MLN
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![BU of 4mln by Molmil](/molmil-images/mine/4mln) | Crystal of PhnZ bound to (R)-2-amino-1-hydroxyethylphosphonic acid | Descriptor: | FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid | Authors: | van Staalduinen, L.M, McSorley, F.R, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2013-09-06 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates. Proc.Natl.Acad.Sci.USA, 111, 2014
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2IU0
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![BU of 2iu0 by Molmil](/molmil-images/mine/2iu0) | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | Authors: | Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2006-05-26 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase J.Biol.Chem., 282, 2007
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2J3I
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![BU of 2j3i by Molmil](/molmil-images/mine/2j3i) | Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Binary Complex | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-DEPENDENT OXIDOREDUCTASE P1 | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | Deposit date: | 2006-08-21 | Release date: | 2006-10-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanistic and Structural Studies of Apoform, Binary, and Ternary Complexes of the Arabidopsis Alkenal Double Bond Reductase at5G16970. J.Biol.Chem., 281, 2006
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2IU3
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![BU of 2iu3 by Molmil](/molmil-images/mine/2iu3) | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2006-05-27 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase. J. Biol. Chem., 282, 2007
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2H7Y
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![BU of 2h7y by Molmil](/molmil-images/mine/2h7y) | Pikromycin Thioesterase with covalent affinity label | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Giraldes, J.W, Akey, D.L, Kittendorf, J.D, Sherman, D.H, Smith, J.S, Fecik, R.A. | Deposit date: | 2006-06-06 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Mechanistic Insights of Polyketide Macrolactonization from Polyketide-based Affinity Labels NAT.CHEM.BIOL., 2, 2006
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2HFJ
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![BU of 2hfj by Molmil](/molmil-images/mine/2hfj) | Pikromycin thioesterase with covalent pentaketide affinity label | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Akey, D.L, Kittendorf, J.D, Giraldes, J.W, Fecik, R.A, Sherman, D.H, Smith, J.L. | Deposit date: | 2006-06-24 | Release date: | 2006-09-19 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for Macrolactonization by the Pikromycin Thioesterase NAT.CHEM.BIOL., 2, 2006
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2K3V
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![BU of 2k3v by Molmil](/molmil-images/mine/2k3v) | Solution Structure of a Tetrahaem Cytochrome from Shewanella Frigidimarina | Descriptor: | HEME C, Tetraheme cytochrome c-type | Authors: | Paixao, V.B, Turner, D.L, Salgueiro, C.A, Brennan, L, Reid, G.A, Chapman, S.K. | Deposit date: | 2008-05-19 | Release date: | 2009-03-31 | Last modified: | 2019-10-02 | Method: | SOLUTION NMR | Cite: | The solution structure of a tetraheme cytochrome from Shewanella frigidimarina reveals a novel family structural motif Biochemistry, 47, 2008
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2J3K
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![BU of 2j3k by Molmil](/molmil-images/mine/2j3k) | Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Ternary Complex II | Descriptor: | (2E,4R)-4-HYDROXYNON-2-ENAL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent oxidoreductase 2-alkenal reductase | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | Deposit date: | 2006-08-22 | Release date: | 2006-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanistic and structural studies of apoform, binary, and ternary complexes of the Arabidopsis alkenal double bond reductase At5g16970. J. Biol. Chem., 281, 2006
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2J3J
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![BU of 2j3j by Molmil](/molmil-images/mine/2j3j) | Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Ternary Complex I | Descriptor: | 4'-HYDROXYCINNAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent oxidoreductase 2-alkenal reductase | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | Deposit date: | 2006-08-21 | Release date: | 2006-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanistic and structural studies of apoform, binary, and ternary complexes of the Arabidopsis alkenal double bond reductase At5g16970. J. Biol. Chem., 281, 2006
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2I2H
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![BU of 2i2h by Molmil](/molmil-images/mine/2i2h) | NMR structure of TPC3 in TFE | Descriptor: | signaling peptide TCP3 | Authors: | Syvitski, R.T, Jakeman, D.L, Li, Y. | Deposit date: | 2006-08-16 | Release date: | 2006-10-17 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Structure-Activity Analysis of Quorum-Sensing Signaling Peptides from Streptococcus mutans. J.Bacteriol., 189, 2007
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2JDD
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![BU of 2jdd by Molmil](/molmil-images/mine/2jdd) | Glyphosate N-acetyltransferase bound to acetyl COA and 3-phosphoglycerate | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ACETYL COENZYME *A, GLYPHOSATE N-ACETYLTRANSFERASE, ... | Authors: | Siehl, D.L, Castle, L.A, Gorton, R, Keenan, R.J. | Deposit date: | 2007-01-06 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The molecular basis of glyphosate resistance by an optimized microbial acetyltransferase. J. Biol. Chem., 282, 2007
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2JDC
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![BU of 2jdc by Molmil](/molmil-images/mine/2jdc) | Glyphosate N-acetyltransferase bound to oxidized COA and sulfate | Descriptor: | GLYPHOSATE N-ACETYLTRANSFERASE, OXIDIZED COENZYME A, SULFATE ION | Authors: | Siehl, D.L, Castle, L.A, Gorton, R, Keenan, R.J. | Deposit date: | 2007-01-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Molecular Basis of Glyphosate Resistance by an Optimized Microbial Acetyltransferase. J.Biol.Chem., 282, 2007
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2JHE
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![BU of 2jhe by Molmil](/molmil-images/mine/2jhe) | N-terminal domain of TyrR transcription factor (residues 1 - 190) | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Verger, D, Carr, P.D, Kwok, T, Ollis, D.L. | Deposit date: | 2007-02-21 | Release date: | 2008-06-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the N-Terminal Domain of the Tyrr Transcription Factor Responsible for Gene Regulation of Aromatic Amino Acid Biosynthesis and Transport in Escherichia Coli K12 J.Mol.Biol., 367, 2007
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2IYN
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![BU of 2iyn by Molmil](/molmil-images/mine/2iyn) | The co-factor-induced pre-active conformation in PhoB | Descriptor: | MAGNESIUM ION, PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB | Authors: | Sola, M, Drew, D.L, Blanco, A.G, Gomis-Ruth, F.X, Coll, M. | Deposit date: | 2006-07-19 | Release date: | 2006-08-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The Cofactor-Induced Pre-Active Conformation in Phob. Acta Crystallogr.,Sect.D, 62, 2006
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