5V9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v9u by Molmil](/molmil-images/mine/5v9u) | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | Deposit date: | 2017-03-23 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor. Cell, 172, 2018
|
|
1I8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i8c by Molmil](/molmil-images/mine/1i8c) | SOLUTION STRUCTURE OF THE WATER-SOLUBLE FRAGMENT OF RAT HEPATIC APOCYTOCHROME B5 | Descriptor: | CYTOCHROME B5 | Authors: | Falzone, C.J, Wang, Y, Vu, B.C, Scott, N.L, Bhattacharya, S, Lecomte, J.T. | Deposit date: | 2001-03-13 | Release date: | 2001-05-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural and dynamic perturbations induced by heme binding in cytochrome b5. Biochemistry, 40, 2001
|
|
6O1N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o1n by Molmil](/molmil-images/mine/6o1n) | Cryo-EM structure of TRPV5 (1-660) in nanodisc | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-21 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
1KB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kb3 by Molmil](/molmil-images/mine/1kb3) | Three Dimensional Structure Analysis of the R195A Variant of Human Pancreatic Alpha Amylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | Deposit date: | 2001-11-05 | Release date: | 2002-05-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase. Biochemistry, 41, 2002
|
|
6O1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o1u by Molmil](/molmil-images/mine/6o1u) | Cryo-EM structure of TRPV5 W583A in nanodisc | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-21 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6O1P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o1p by Molmil](/molmil-images/mine/6o1p) | Cryo-EM structure of full length TRPV5 in nanodisc | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-21 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
1KGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kgx by Molmil](/molmil-images/mine/1kgx) | Three Dimensional Structure Analysis of the R195Q Variant of Human Pancreatic Alpha Amylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | Deposit date: | 2001-11-28 | Release date: | 2002-01-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase. Biochemistry, 41, 2002
|
|
7DRB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7drb by Molmil](/molmil-images/mine/7drb) | Crystal structure of plant receptor like protein RXEG1 with xyloglucanase XEG1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell 12A endoglucanase, ... | Authors: | Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J. | Deposit date: | 2020-12-27 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Plant receptor-like protein activation by a microbial glycoside hydrolase. Nature, 610, 2022
|
|
7DRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7drc by Molmil](/molmil-images/mine/7drc) | Cryo-EM structure of plant receptor like protein RXEG1 in complex with xyloglucanase XEG1 and BAK1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinosteroid insensitive 1-associated receptor kinase 1, ... | Authors: | Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J. | Deposit date: | 2020-12-27 | Release date: | 2022-06-22 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Plant receptor-like protein activation by a microbial glycoside hydrolase. Nature, 610, 2022
|
|
1KGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kgu by Molmil](/molmil-images/mine/1kgu) | THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE R337A VARIANT OF HUMAN PANCREATIC ALPHA-AMYLASE | Descriptor: | ALPHA-AMYLASE, PANCREATIC, CALCIUM ION | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | Deposit date: | 2001-11-28 | Release date: | 2002-01-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase. Biochemistry, 41, 2002
|
|
1MOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1moz by Molmil](/molmil-images/mine/1moz) | ADP-ribosylation factor-like 1 (ARL1) from Saccharomyces cerevisiae | Descriptor: | ADP-ribosylation factor-like protein 1, GUANOSINE-5'-DIPHOSPHATE | Authors: | Amor, J.C, Horton, J.R, Zhu, X, Wang, Y, Sullards, C, Ringe, D, Cheng, X, Kahn, R.A. | Deposit date: | 2002-09-10 | Release date: | 2002-10-09 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Structures of Yeast ARF2 and ARL1:
DISTINCT ROLES FOR THE N TERMINUS IN THE STRUCTURE
AND FUNCTION OF ARF FAMILY GTPases J.Biol.Chem., 276, 2001
|
|
5AGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5agr by Molmil](/molmil-images/mine/5agr) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
|
|
1RE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1re5 by Molmil](/molmil-images/mine/1re5) | Crystal structure of 3-carboxy-cis,cis-muconate lactonizing enzyme from Pseudomonas putida | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-carboxy-cis,cis-muconate cycloisomerase, CITRIC ACID | Authors: | Yang, J, Wang, Y, Woolridge, E.M, Petsko, G.A, Kozarich, J.W, Ringe, D. | Deposit date: | 2003-11-06 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of 3-Carboxy-cis,cis-muconate Lactonizing Enzyme from Pseudomonas putida, a Fumarase Class II Type Cycloisomerase: Enzyme Evolution in Parallel Pathways. Biochemistry, 43, 2004
|
|
6AX3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ax3 by Molmil](/molmil-images/mine/6ax3) | Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA) | Descriptor: | 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ... | Authors: | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | Deposit date: | 2017-09-06 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7. Sci Rep, 8, 2018
|
|
1RXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rxt by Molmil](/molmil-images/mine/1rxt) | Crystal structure of human myristoyl-CoA:protein N-myristoyltransferase. | Descriptor: | COBALT (II) ION, Glycylpeptide N-tetradecanoyltransferase 1, SULFATE ION | Authors: | Yang, J, Wang, Y, Frey, G, Abeles, R.H, Petsko, G.A, Ringe, D. | Deposit date: | 2003-12-18 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human myristoyl-CoA:protein N-myristoyltransferase To be Published
|
|
1S8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1s8k by Molmil](/molmil-images/mine/1s8k) | Solution Structure of BmKK4, A Novel Potassium Channel Blocker from Scorpion Buthus martensii Karsch, 25 structures | Descriptor: | Toxin BmKK4 | Authors: | Zhang, N, Chen, X, Li, M, Cao, C, Wang, Y, Hu, G, Wu, H. | Deposit date: | 2004-02-02 | Release date: | 2005-02-08 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of BmKK4, the first member of subfamily alpha-KTx 17 of scorpion toxins Biochemistry, 43, 2004
|
|
7EVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7evp by Molmil](/molmil-images/mine/7evp) | Cryo-EM structure of the Gp168-beta-clamp complex | Descriptor: | Beta sliding clamp, Sliding clamp inhibitor | Authors: | Liu, B, Li, S, Liu, Y, Chen, H, Hu, Z, Wang, Z, Gou, L, Zhang, L, Ma, B, Wang, H, Matthews, S, Wang, Y, Zhang, K. | Deposit date: | 2021-05-21 | Release date: | 2022-02-16 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Bacteriophage Twort protein Gp168 is a beta-clamp inhibitor by occupying the DNA sliding channel. Nucleic Acids Res., 49, 2021
|
|
1RD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rd6 by Molmil](/molmil-images/mine/1rd6) | Crystal Structure of S. Marcescens Chitinase A Mutant W167A | Descriptor: | Chitinase A | Authors: | Aronson, N.N, Halloran, B.A, Alexyev, M.F, Zhou, X.E, Wang, Y, Meehan, E.J, Chen, L. | Deposit date: | 2003-11-05 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mutation of a conserved tryptophan in the chitin-binding cleft of Serratia marcescens chitinase A enhances transglycosylation. Biosci.Biotechnol.Biochem., 70, 2006
|
|
5UY8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uy8 by Molmil](/molmil-images/mine/5uy8) | Crystal structure of AICARFT bound to an antifolate | Descriptor: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ... | Authors: | Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D. | Deposit date: | 2017-02-23 | Release date: | 2018-01-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J. Med. Chem., 60, 2017
|
|
5UZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uz0 by Molmil](/molmil-images/mine/5uz0) | Crystal structure of AICARFT bound to an antifolate | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ... | Authors: | Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J. | Deposit date: | 2017-02-24 | Release date: | 2018-01-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J. Med. Chem., 60, 2017
|
|
6N47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n47 by Molmil](/molmil-images/mine/6n47) | The structure of SB-2-204-tubulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W. | Deposit date: | 2018-11-17 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors. Acs Chem.Biol., 14, 2019
|
|
1T3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t3x by Molmil](/molmil-images/mine/1t3x) | |
7LMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lmb by Molmil](/molmil-images/mine/7lmb) | Tetrahymena telomerase T5D5 structure at 3.8 Angstrom | Descriptor: | Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ... | Authors: | He, Y, Wang, Y, Liu, B, Helmling, C, Susac, L, Cheng, R, Zhou, Z.H, Feigon, J. | Deposit date: | 2021-02-05 | Release date: | 2021-05-12 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of telomerase at several steps of telomere repeat synthesis. Nature, 593, 2021
|
|
1T3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t3y by Molmil](/molmil-images/mine/1t3y) | |
8TG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tg1 by Molmil](/molmil-images/mine/8tg1) | Caldicellulosiruptor saccharolyticus periplasmic urea-binding protein | Descriptor: | BROMIDE ION, Extracellular ligand-binding receptor, UREA | Authors: | Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W. | Deposit date: | 2023-07-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Structure-based functional analysis reveals multiple roles and widespread use of urea-binding proteins in nitrogen metabolism To Be Published
|
|