4YS5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ys5 by Molmil](/molmil-images/mine/4ys5) | |
2ALL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2all by Molmil](/molmil-images/mine/2all) | Crystal structure of L122V/L132V mutant of nitrophorin 2 | Descriptor: | Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Weichsel, A, Berry, R.E, Walker, F.A, Montfort, W.R. | Deposit date: | 2005-08-05 | Release date: | 2006-07-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal structures, ligand induced conformational change and heme deformation in complexes of nitrophorin 2, a nitric oxide transport protein from rhodnius prolixus To be Published
|
|
4YUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yuo by Molmil](/molmil-images/mine/4yuo) | High-resolution multiconformer synchrotron model of CypA at 273 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
|
|
2AIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2air by Molmil](/molmil-images/mine/2air) | |
2ANQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2anq by Molmil](/molmil-images/mine/2anq) | Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. | Descriptor: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | Deposit date: | 2005-08-11 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
|
|
4YWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ywd by Molmil](/molmil-images/mine/4ywd) | Structure of rat cytosolic pepck in complex with 2,3-Pyridine dicarboxylic acid | Descriptor: | MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ... | Authors: | Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid. Biochemistry, 54, 2015
|
|
4YUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yuj by Molmil](/molmil-images/mine/4yuj) | Multiconformer synchrotron model of CypA at 240 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
|
|
5THV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5thv by Molmil](/molmil-images/mine/5thv) | Crystal Structure of G305A HDAC8 in complex with M344 | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... | Authors: | Porter, N.J, Christianson, D.W. | Deposit date: | 2016-09-30 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.868 Å) | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
|
|
2AT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2at8 by Molmil](/molmil-images/mine/2at8) | |
1KG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kg1 by Molmil](/molmil-images/mine/1kg1) | NMR structure of the NIP1 elicitor protein from Rhynchosporium secalis | Descriptor: | Necrosis Inducing Protein 1 | Authors: | Van't Slot, K.A, Van den Burg, H.A, Kloks, C.P, Hilbers, C.W, Knogge, W, Papavoine, C.H. | Deposit date: | 2001-11-26 | Release date: | 2003-11-11 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Plant Disease Resistance-triggering Protein NIP1 from the Fungus Rhynchosporium secalis Shows a Novel beta-Sheet Fold. J.Biol.Chem., 278, 2003
|
|
4EHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ehm by Molmil](/molmil-images/mine/4ehm) | RabGGTase in complex with covalently bound Psoromic acid | Descriptor: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | Authors: | Guo, Z, Deraeve, C, Bon, R.S, Alexandrov, K, Waldmann, H, Wu, Y.W, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2012-04-02 | Release date: | 2012-05-30 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Psoromic Acid is a Selective and Covalent Rab-Prenylation Inhibitor Targeting Autoinhibited RabGGTase J.Am.Chem.Soc., 134, 2012
|
|
1KGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kgt by Molmil](/molmil-images/mine/1kgt) | Crystal Structure of Tetrahydrodipicolinate N-Succinyltransferase in Complex with Pimelate and Succinyl-CoA | Descriptor: | 2,3,4,5-TETRAHYDROPYRIDINE-2-CARBOXYLATE N-SUCCINYLTRANSFERASE, PIMELIC ACID, SUCCINYL-COENZYME A | Authors: | Beaman, T.W, Vogel, K.W, Drueckhammer, D.G, Blanchard, J.S, Roderick, S.L. | Deposit date: | 2001-11-28 | Release date: | 2002-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Acyl group specificity at the active site of tetrahydridipicolinate N-succinyltransferase. Protein Sci., 11, 2002
|
|
4Y5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y5t by Molmil](/molmil-images/mine/4y5t) | Structure of FtmOx1 apo with metal Iron | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, FE (II) ION, ... | Authors: | Yan, W, Zhang, Y. | Deposit date: | 2015-02-12 | Release date: | 2015-11-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme. Nature, 527, 2015
|
|
1ZDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zdp by Molmil](/molmil-images/mine/1zdp) | Crystal Structure Analysis of Thermolysin Complexed with the Inhibitor (S)-thiorphan | Descriptor: | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE, CALCIUM ION, Thermolysin, ... | Authors: | Roderick, S.L, Fournie-Zaluski, M.C, Roques, B.P, Matthews, B.W. | Deposit date: | 2005-04-14 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Thiorphan and retro-thiorphan display equivalent interactions when bound to crystalline thermolysin Biochemistry, 28, 1989
|
|
1ZEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zea by Molmil](/molmil-images/mine/1zea) | Structure of the anti-cholera toxin antibody Fab fragment TE33 in complex with a D-peptide | Descriptor: | CITRIC ACID, monoclonal anti-cholera toxin IGG1 KAPPA antibody, H chain, ... | Authors: | Scheerer, P, Krauss, N, Wessner, H, Scholz, C, Otte, L, Seifert, M, Kramer, A, Schneider-Mergener, J, Hoehne, W. | Deposit date: | 2005-04-18 | Release date: | 2006-04-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure of an anti-cholera toxin antibody Fab in complex with an epitope-derived D-peptide: a case of polyspecific recognition. J.Mol.Recognit., 20, 2007
|
|
5M42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m42 by Molmil](/molmil-images/mine/5m42) | Structure of Thermus thermophilus L-proline dehydrogenase lacking alpha helices A, B and C | Descriptor: | FLAVIN MONONUCLEOTIDE, Proline dehydrogenase | Authors: | Martinez-Julvez, M, Huijbers, M.M.E, van Berkel, W.J.H, Medina, M. | Deposit date: | 2016-10-18 | Release date: | 2017-03-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Proline dehydrogenase from Thermus thermophilus does not discriminate between FAD and FMN as cofactor. Sci Rep, 7, 2017
|
|
2JIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jih by Molmil](/molmil-images/mine/2jih) | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form) | Descriptor: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAMTS-1, CADMIUM ION, ... | Authors: | Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M. | Deposit date: | 2007-06-28 | Release date: | 2008-01-15 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains. J. Mol. Biol., 373, 2007
|
|
1ZMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zmo by Molmil](/molmil-images/mine/1zmo) | Apo structure of haloalcohol dehalogenase HheA of Arthrobacter sp. AD2 | Descriptor: | halohydrin dehalogenase | Authors: | de Jong, R.M, Kalk, K.H, Tang, L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2005-05-10 | Release date: | 2006-04-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The X-ray structure of the haloalcohol dehalogenase HheA from Arthrobacter sp. strain AD2: insight into enantioselectivity and halide binding in the haloalcohol dehalogenase family. J.Bacteriol., 188, 2006
|
|
1KI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ki8 by Molmil](/molmil-images/mine/1ki8) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOVINYLDEOXYURIDINE | Descriptor: | 5-BROMOVINYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-15 | Release date: | 1998-12-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
|
|
4A5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a5m by Molmil](/molmil-images/mine/4a5m) | Redox regulator HypR in its oxidized form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATOR YYBR | Authors: | Palm, G.J, Waack, P, Read, R.J, Hinrichs, W. | Deposit date: | 2011-10-26 | Release date: | 2012-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights Into the Redox-Switch Mechanism of the Marr/Duf24-Type Regulator Hypr Nucleic Acids Res., 40, 2012
|
|
4AB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ab2 by Molmil](/molmil-images/mine/4ab2) | ATP-triggered molecular mechanics of the chaperonin GroEL | Descriptor: | 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R. | Deposit date: | 2011-12-06 | Release date: | 2012-12-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin. Cell(Cambridge,Mass.), 149, 2012
|
|
1FU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fu7 by Molmil](/molmil-images/mine/1fu7) | STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN | Descriptor: | GLYCOGEN PHOSPHORYLASE, N-(methoxycarbonyl)-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE | Authors: | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | Deposit date: | 2000-09-14 | Release date: | 2000-10-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase. Proteins, 61, 2005
|
|
3N0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n0m by Molmil](/molmil-images/mine/3n0m) | Crystal structure of BA2930 mutant (H183G) in complex with AcCoA | Descriptor: | ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-14 | Release date: | 2010-06-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
|
|
4YDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ydv by Molmil](/molmil-images/mine/4ydv) | STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS | Descriptor: | HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606) | Authors: | Nicely, N.I, Pemble IV, C.W. | Deposit date: | 2015-02-23 | Release date: | 2015-08-12 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques. Plos Pathog., 11, 2015
|
|
5TGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tgx by Molmil](/molmil-images/mine/5tgx) | |