5UOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uog by Molmil](/molmil-images/mine/5uog) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in apo form | Descriptor: | NADPH-dependent glyoxylate/hydroxypyruvate reductase, SULFATE ION | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-01-31 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
|
|
6MBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mbj by Molmil](/molmil-images/mine/6mbj) | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, P21 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia. Nature, 565, 2019
|
|
7S3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s3i by Molmil](/molmil-images/mine/7s3i) | Ex4-D-Ala bound to the glucagon-like peptide-1 receptor/g protein complex (conformer 2) | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Belousoff, M.J, Piper, S.J, Danev, R. | Deposit date: | 2021-09-07 | Release date: | 2022-01-05 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Structural and functional diversity among agonist-bound states of the GLP-1 receptor. Nat.Chem.Biol., 18, 2022
|
|
2GT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gt1 by Molmil](/molmil-images/mine/2gt1) | E. coli heptosyltransferase WaaC. | Descriptor: | Lipopolysaccharide heptosyltransferase-1 | Authors: | Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A. | Deposit date: | 2006-04-27 | Release date: | 2007-05-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Escherichia coli Heptosyltransferase WaaC: Binary Complexes with ADP AND ADP-2-deoxy-2-fluoro Heptose. J.Mol.Biol., 363, 2006
|
|
6KH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kh4 by Molmil](/molmil-images/mine/6kh4) | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | Deposit date: | 2019-07-12 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
|
|
5UNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5unx by Molmil](/molmil-images/mine/5unx) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
|
|
5UOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uod by Molmil](/molmil-images/mine/5uod) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
|
|
5UO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uo0 by Molmil](/molmil-images/mine/5uo0) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
|
|
5UNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uns by Molmil](/molmil-images/mine/5uns) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
|
|
5UO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uo3 by Molmil](/molmil-images/mine/5uo3) | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
|
|
4KTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ktd by Molmil](/molmil-images/mine/4ktd) | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE136, from non-human primate | Descriptor: | GE136 Heavy Chain Fab, GE136 Light Chain Fab, GLYCEROL, ... | Authors: | Poulsen, C, Tran, K, Standfield, R, Wyatt, R.T. | Deposit date: | 2013-05-20 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1JY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jy9 by Molmil](/molmil-images/mine/1jy9) | MINIMIZED AVERAGE STRUCTURE OF DP-TT2 | Descriptor: | DP-TT2 | Authors: | Stanger, H.E, Syud, F.A, Espinosa, J.F, Giriat, I, Muir, T, Gellman, S.H. | Deposit date: | 2001-09-11 | Release date: | 2001-09-19 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Length-dependent stability and strand length limits in antiparallel beta -sheet secondary structure. Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
3KUK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kuk by Molmil](/molmil-images/mine/3kuk) | Trapping of an oxocarbenium ion intermediate in UP crystals | Descriptor: | 2'-DEOXYURIDINE, SULFATE ION, Uridine phosphorylase | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-11-27 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.783 Å) | Cite: | Glycal formation in crystals of uridine phosphorylase. Biochemistry, 49, 2010
|
|
3KVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kvy by Molmil](/molmil-images/mine/3kvy) | Trapping of an oxocarbenium ion intermediate in UP crystals | Descriptor: | 1,4-anhydro-D-erythro-pent-1-enitol, SULFATE ION, URACIL, ... | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycal formation in crystals of uridine phosphorylase. Biochemistry, 49, 2010
|
|
4D4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d4q by Molmil](/molmil-images/mine/4d4q) | Crystal Structure of Kti13/AtS1 | Descriptor: | PROTEIN ATS1 | Authors: | Glatt, S, Mueller, C.W. | Deposit date: | 2014-10-30 | Release date: | 2015-01-14 | Last modified: | 2017-03-29 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | Structure of the Kti11/Kti13 Heterodimer and its Double Role in Modifications of tRNA and Eukaryotic Elongation Factor 2. Structure, 23, 2015
|
|
2H1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h1f by Molmil](/molmil-images/mine/2h1f) | E. coli heptosyltransferase WaaC with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide heptosyltransferase-1 | Authors: | Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A. | Deposit date: | 2006-05-16 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the Escherichia coli heptosyltransferase WaaC: binary complexes with ADP and ADP-2-deoxy-2-fluoro heptose. J.Mol.Biol., 363, 2006
|
|
3L0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l0r by Molmil](/molmil-images/mine/3l0r) | Crystal Structure of Salivary Cystatin from the Soft Tick Ornithodoros moubata | Descriptor: | CHLORIDE ION, Cystatin-2, GLYCEROL | Authors: | Rezacova, P, Brynda, J, Andersen, J.F, Salat, J, Kovarova, Z, Mares, M. | Deposit date: | 2009-12-10 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure and functional characterization of an immunomodulatory salivary cystatin from the soft tick Ornithodoros moubata Biochem.J., 429, 2010
|
|
4ZZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zze by Molmil](/molmil-images/mine/4zze) | Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with panose | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Sugar binding protein of ABC transporter system, ... | Authors: | Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Hachem, M.A. | Deposit date: | 2015-05-22 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates. J. Biol. Chem., 291, 2016
|
|
4ZZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zza by Molmil](/molmil-images/mine/4zza) | Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with raffinose, selenomethionine derivative | Descriptor: | Sugar binding protein of ABC transporter system, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose | Authors: | Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Abou Hachem, M. | Deposit date: | 2015-05-22 | Release date: | 2016-06-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates. J. Biol. Chem., 291, 2016
|
|
5A8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a8z by Molmil](/molmil-images/mine/5a8z) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | Authors: | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | Deposit date: | 2015-07-17 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
|
|
6M5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m5w by Molmil](/molmil-images/mine/6m5w) | Co-crystal structure of human serine hydroxymethyltransferase 1 in complex with Pyridoxal 5'-phosphate (PLP) and glycodeoxycholic acid | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCINE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Ota, T, Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K, Sando, S. | Deposit date: | 2020-03-11 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for selective inhibition of human serine hydroxymethyltransferase by secondary bile acid conjugate. Iscience, 24, 2021
|
|
5FWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fwt by Molmil](/molmil-images/mine/5fwt) | Wnt modulator Kremen crystal form I at 2.10A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, KREMEN PROTEIN 1, ... | Authors: | Zebisch, M, Jackson, V.A, Jones, E.Y. | Deposit date: | 2016-02-21 | Release date: | 2016-07-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf Structure, 24, 2016
|
|
6BAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bas by Molmil](/molmil-images/mine/6bas) | Crystal structure of Thermus thermophilus Rod shape determining protein RodA D255A mutant (Q5SIX3_THET8) | Descriptor: | CHLORIDE ION, Peptidoglycan glycosyltransferase RodA | Authors: | Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C. | Deposit date: | 2017-10-15 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.194 Å) | Cite: | Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis. Nature, 556, 2018
|
|
1XGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xgv by Molmil](/molmil-images/mine/1xgv) | Isocitrate Dehydrogenase from the hyperthermophile Aeropyrum pernix | Descriptor: | Isocitrate dehydrogenase | Authors: | Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N.-K, Ladenstein, R. | Deposit date: | 2004-09-17 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability J.Mol.Biol., 345, 2005
|
|
6KH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kh1 by Molmil](/molmil-images/mine/6kh1) | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Whang, H, Zhao, G. | Deposit date: | 2019-07-12 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
|
|