6L3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l3u by Molmil](/molmil-images/mine/6l3u) | Human Cx31.3/GJC3 connexin hemichannel in the presence of calcium | Descriptor: | CALCIUM ION, Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol | Authors: | Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S. | Deposit date: | 2019-10-15 | Release date: | 2020-09-09 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel. Sci Adv, 6, 2020
|
|
5UQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uqh by Molmil](/molmil-images/mine/5uqh) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p182 | Descriptor: | 1,2-ETHANEDIOL, INOSINIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-08 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6 To Be Published
|
|
8FIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fiv by Molmil](/molmil-images/mine/8fiv) | |
8FIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fiw by Molmil](/molmil-images/mine/8fiw) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221 | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2022-12-16 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors. Eur.J.Med.Chem., 259, 2023
|
|
7LCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lcf by Molmil](/molmil-images/mine/7lcf) | |
2OSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2osg by Molmil](/molmil-images/mine/2osg) | Solution Structure and Binding Property of the Domain-swapped Dimer of ZO2PDZ2 | Descriptor: | Tight junction protein ZO-2 | Authors: | Wu, J.W, Yang, Y.S, Zhang, J.H, Ji, P, Wu, J.H, Shi, Y.Y. | Deposit date: | 2007-02-05 | Release date: | 2007-09-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Domain-swapped Dimerization of the Second PDZ Domain of ZO2 May Provide a Structural Basis for the Polymerization of Claudins J.Biol.Chem., 282, 2007
|
|
7M06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m06 by Molmil](/molmil-images/mine/7m06) | Dihydrodipicolinate synthase (DHDPS) from C.jejuni, Y110F mutant with R,R-bislysine bound at the allosteric site at 2.7 Angstrom | Descriptor: | (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ... | Authors: | Saran, S, Sanders, D.A.R. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS To Be Published
|
|
7AA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aa4 by Molmil](/molmil-images/mine/7aa4) | Structure of ClpC1-NTD bound to a CymA analogue | Descriptor: | Negative regulator of genetic competence ClpC/mecB, polymer Cyclomarin A analogue | Authors: | Meinhart, A, Morreale, F.E, Kaiser, M, Clausen, T. | Deposit date: | 2020-09-03 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | BacPROTACs mediate targeted protein degradation in bacteria. Cell, 185, 2022
|
|
7ABR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7abr by Molmil](/molmil-images/mine/7abr) | Cryo-EM structure of B. subtilis ClpC (DWB mutant) hexamer bound to a substrate polypeptide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Negative regulator of genetic competence ClpC/MecB, ... | Authors: | Morreale, F.E, Meinhart, A, Haselbach, D, Clausen, T. | Deposit date: | 2020-09-08 | Release date: | 2021-10-06 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | BacPROTACs mediate targeted protein degradation in bacteria. Cell, 185, 2022
|
|
7SVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7svs by Molmil](/molmil-images/mine/7svs) | |
7STB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7stb by Molmil](/molmil-images/mine/7stb) | Closed state of Rad24-RFC:9-1-1 bound to a 5' ss/dsDNA junction | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DNA (5'-D(P*CP*GP*CP*TP*CP*CP*TP*TP*CP*CP*TP*GP*AP*CP*TP*CP*GP*TP*CP*C)-3'), ... | Authors: | Castaneda, J.C, Schrecker, M, Remus, D, Hite, R.K. | Deposit date: | 2021-11-12 | Release date: | 2022-03-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Mechanisms of loading and release of the 9-1-1 checkpoint clamp. Nat.Struct.Mol.Biol., 29, 2022
|
|
7ST9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7st9 by Molmil](/molmil-images/mine/7st9) | Open state of Rad24-RFC:9-1-1 bound to a 5' ss/dsDNA junction | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DNA (5'-D(P*CP*GP*CP*TP*CP*CP*TP*TP*CP*CP*TP*GP*AP*CP*TP*CP*GP*TP*CP*C)-3'), ... | Authors: | Castaneda, J.C, Schrecker, M, Remus, D, Hite, R.K. | Deposit date: | 2021-11-12 | Release date: | 2022-03-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Mechanisms of loading and release of the 9-1-1 checkpoint clamp. Nat.Struct.Mol.Biol., 29, 2022
|
|
8B9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b9o by Molmil](/molmil-images/mine/8b9o) | |
8B9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b9u by Molmil](/molmil-images/mine/8b9u) | |
4MB9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mb9 by Molmil](/molmil-images/mine/4mb9) | Structure of Streptococcus pneumonia ParE in complex with AZ13102335 | Descriptor: | 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ... | Authors: | Ogg, D, Tucker, J. | Deposit date: | 2013-08-19 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
|
|
4MBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mbc by Molmil](/molmil-images/mine/4mbc) | Structure of Streptococcus pneumonia ParE in complex with AZ13053807 | Descriptor: | 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit | Authors: | Ogg, D, Tucker, J. | Deposit date: | 2013-08-19 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
|
|
7QXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qxj by Molmil](/molmil-images/mine/7qxj) | |
4LZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lzs by Molmil](/molmil-images/mine/4lzs) | Crystal Structure of BRD4(1) bound to inhibitor XD46 | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
|
|
4MKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mkh by Molmil](/molmil-images/mine/4mkh) | Crystal structure of a stable adenylate kinase variant AKv18 | Descriptor: | 1,2-ETHANEDIOL, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | Authors: | Moon, S, Bae, E. | Deposit date: | 2013-09-05 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An integrated approach for thermal stabilization of a mesophilic adenylate kinase. Proteins, 82, 2014
|
|
4MT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mt8 by Molmil](/molmil-images/mine/4mt8) | |
5E6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e6f by Molmil](/molmil-images/mine/5e6f) | Canarypox virus resolvase | Descriptor: | CNPV261 Holliday junction resolvase protein, D(-)-TARTARIC ACID, MAGNESIUM ION | Authors: | Li, H, Hwang, Y, Perry, K, Bushman, F.D, Van Duyne, G.D. | Deposit date: | 2015-10-09 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Metal Binding Properties of a Poxvirus Resolvase. J.Biol.Chem., 291, 2016
|
|
1EXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1exy by Molmil](/molmil-images/mine/1exy) | SOLUTION STRUCTURE OF HTLV-1 PEPTIDE BOUND TO ITS RNA APTAMER TARGET | Descriptor: | HTLV-1 REX PEPTIDE, RNA APTAMER, 33-MER | Authors: | Jiang, F, Gorin, A, Hu, W, Majumdar, A, Baskerville, S, Xu, W, Ellington, A, Patel, D.J. | Deposit date: | 2000-05-05 | Release date: | 2000-05-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Anchoring an extended HTLV-1 Rex peptide within an RNA major groove containing junctional base triples. Structure Fold.Des., 7, 1999
|
|
8EST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8est by Molmil](/molmil-images/mine/8est) | REACTION OF PORCINE PANCREATIC ELASTASE WITH 7-SUBSTITUTED 3-ALKOXY-4-CHLOROISOCOUMARINS: DESIGN OF POTENT INHIBITORS USING THE CRYSTAL STRUCTURE OF THE COMPLEX FORMED WITH 4-CHLORO-3-ETHOXY-7-GUANIDINO-ISOCOUMARIN | Descriptor: | CALCIUM ION, ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE, PORCINE PANCREATIC ELASTASE, ... | Authors: | Radhakrishnan, R, Powers, J.C, Meyerjunior, E.F. | Deposit date: | 1990-02-21 | Release date: | 1992-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Reaction of porcine pancreatic elastase with 7-substituted 3-alkoxy-4-chloroisocoumarins: design of potent inhibitors using the crystal structure of the complex formed with 4-chloro-3-ethoxy-7-guanidinoisocoumarin. Biochemistry, 29, 1990
|
|
5ICD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5icd by Molmil](/molmil-images/mine/5icd) | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1990-05-30 | Release date: | 1991-10-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulation of an enzyme by phosphorylation at the active site. Science, 249, 1990
|
|
2SNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2sns by Molmil](/molmil-images/mine/2sns) | STAPHYLOCOCCAL NUCLEASE. PROPOSED MECHANISM OF ACTION BASED ON STRUCTURE OF ENZYME-THYMIDINE 3(PRIME),5(PRIME)-BIPHOSPHATE-CALCIUM ION COMPLEX AT 1.5-ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Legg, M.J, Cotton, F.A, Hazen Jr, E.E. | Deposit date: | 1982-05-14 | Release date: | 1982-07-29 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Thesis, Texas Agricultural and Mechanical University, 1977
|
|