3L4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l4s by Molmil](/molmil-images/mine/3l4s) | Crystal structure of C151G mutant of Glyceraldehyde 3-phosphate dehydrogenase 1 (GAPDH1) from methicillin resistant Staphylococcus aureus MRSA252 complexed with NAD and G3P | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Mukherjee, S, Dutta, D, Saha, B, Das, A.K. | Deposit date: | 2009-12-21 | Release date: | 2010-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism. J.Mol.Biol., 401, 2010
|
|
2G27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g27 by Molmil](/molmil-images/mine/2g27) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
|
|
4URJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4urj by Molmil](/molmil-images/mine/4urj) | Crystal structure of human BJ-TSA-9 | Descriptor: | 1,2-ETHANEDIOL, PROTEIN FAM83A | Authors: | Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A. | Deposit date: | 2014-06-30 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal Structure of Human Bj-Tsa-9 To be Published
|
|
4UV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uv2 by Molmil](/molmil-images/mine/4uv2) | Structure of the curli transport lipoprotein CsgG in a non-lipidated, pre-pore conformation | Descriptor: | CURLI PRODUCTION TRANSPORT COMPONENT CSGG | Authors: | Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H. | Deposit date: | 2014-08-04 | Release date: | 2014-09-24 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg. Nature, 516, 2014
|
|
4OG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4og8 by Molmil](/molmil-images/mine/4og8) | Human menin with bound inhibitor MIV-6R | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | Deposit date: | 2014-01-15 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
|
|
8SSO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sso by Molmil](/molmil-images/mine/8sso) | AurA bound to danusertib and inhibiting monobody Mb2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aurora kinase A, ... | Authors: | Ludewig, H, Kim, C, Kern, D. | Deposit date: | 2023-05-08 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A biophysical framework for double-drugging kinases. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
3TUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tuv by Molmil](/molmil-images/mine/3tuv) | |
3TRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3trx by Molmil](/molmil-images/mine/3trx) | |
2Y0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y0h by Molmil](/molmil-images/mine/2y0h) | |
2FX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fx2 by Molmil](/molmil-images/mine/2fx2) | |
4OON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oon by Molmil](/molmil-images/mine/4oon) | Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid) | Descriptor: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A | Authors: | Han, S, Caspers, N, Knafels, J.D. | Deposit date: | 2014-02-03 | Release date: | 2014-05-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
|
|
6DM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dm9 by Molmil](/molmil-images/mine/6dm9) | DHD15_extended | Descriptor: | DHD15_extended_A, DHD15_extended_B, SULFATE ION | Authors: | Bick, M.J, Chen, Z, Baker, D. | Deposit date: | 2018-06-04 | Release date: | 2018-12-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Programmable design of orthogonal protein heterodimers. Nature, 565, 2019
|
|
4OQI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oqi by Molmil](/molmil-images/mine/4oqi) | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations | Descriptor: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | Deposit date: | 2014-02-09 | Release date: | 2015-05-20 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
|
|
1I81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i81 by Molmil](/molmil-images/mine/1i81) | CRYSTAL STRUCTURE OF A HEPTAMERIC LSM PROTEIN FROM METHANOBACTERIUM THERMOAUTOTROPHICUM | Descriptor: | PUTATIVE SNRNP SM-LIKE PROTEIN | Authors: | Collins, B.M, Harrop, S.J, Kornfeld, G.D, Dawes, I.W, Curmi, P.M.G, Mabbutt, B.C. | Deposit date: | 2001-03-12 | Release date: | 2001-03-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a heptameric Sm-like protein complex from archaea: implications for the structure and evolution of snRNPs. J.Mol.Biol., 309, 2001
|
|
8H2C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h2c by Molmil](/molmil-images/mine/8h2c) | Crystal structure of the pseudaminic acid synthase PseI from Campylobacter jejuni | Descriptor: | MANGANESE (II) ION, Pseudaminic acid synthase | Authors: | Song, W.S, Park, M.A, Ki, D.U, Yoon, S.I. | Deposit date: | 2022-10-05 | Release date: | 2022-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural analysis of the pseudaminic acid synthase PseI from Campylobacter jejuni. Biochem.Biophys.Res.Commun., 635, 2022
|
|
4OV0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ov0 by Molmil](/molmil-images/mine/4ov0) | Structure of Bacteriorhdopsin Transferred from Amphipol A8-35 to a Lipidic Mesophase | Descriptor: | Bacteriorhodopsin, RETINAL | Authors: | Polovinkin, V, Gushchin, I, Sintsov, M, Round, E, Balandin, T, Chervakov, P, Schevchenko, V, Utrobin, P, Popov, A, Borshchevskiy, V, Mishin, A, Kuklin, A, Willbold, D, Popot, J.L, Gordeliy, V. | Deposit date: | 2014-02-19 | Release date: | 2014-10-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structure of a membrane protein transferred from amphipol to a lipidic mesophase. J.Membr.Biol., 247, 2014
|
|
2XXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xxb by Molmil](/molmil-images/mine/2xxb) | |
2GBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gbw by Molmil](/molmil-images/mine/2gbw) | Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 | Descriptor: | Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ... | Authors: | Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S. | Deposit date: | 2006-03-12 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
|
|
2Y2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y2x by Molmil](/molmil-images/mine/2y2x) | |
1I52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i52 by Molmil](/molmil-images/mine/1i52) | CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHASE, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Richard, S.B, Bowman, M.E, Kwiatkowski, W, Kang, I, Chow, C, Lillo, M, Cane, D.E, Noel, J.P. | Deposit date: | 2001-02-23 | Release date: | 2001-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of 4-diphosphocytidyl-2-C- methylerythritol synthetase involved in mevalonate- independent isoprenoid biosynthesis. Nat.Struct.Biol., 8, 2001
|
|
4OIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oie by Molmil](/molmil-images/mine/4oie) | |
2XPO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xpo by Molmil](/molmil-images/mine/2xpo) | Crystal structure of a Spt6-Iws1(Spn1) complex from Encephalitozoon cuniculi, Form II | Descriptor: | CHLORIDE ION, CHROMATIN STRUCTURE MODULATOR, IWS1 | Authors: | Diebold, M.-L, Koch, M, Cura, V, Moras, D, Cavarelli, J, Romier, C. | Deposit date: | 2010-08-27 | Release date: | 2010-11-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure of an Iws1/Spt6 Complex Reveals an Interaction Domain Conserved in Tfiis, Elongin a and Med26 Embo J., 29, 2010
|
|
2FOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2foc by Molmil](/molmil-images/mine/2foc) | Structure of porcine pancreatic elastase in 55% dimethylformamide | Descriptor: | CALCIUM ION, DIMETHYLFORMAMIDE, SULFATE ION, ... | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | Deposit date: | 2006-01-13 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
|
|
7R1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r1e by Molmil](/molmil-images/mine/7r1e) | Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | GLYCEROL, Pesticidal crystal protein Cry11Ba | Authors: | Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | Deposit date: | 2022-02-02 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
|
|
6DC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dc1 by Molmil](/molmil-images/mine/6dc1) | Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 25 round 7 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-nitro-2-oxidanyl-benzenecarbonitrile, ... | Authors: | Jackson, C.J, Hong, N.-S, Carr, P.D. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018
|
|