5Y5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y5y by Molmil](/molmil-images/mine/5y5y) | V/A-type ATPase/synthase from Thermus thermophilus, peripheral domain, rotational state 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | Authors: | Nakanishi, A, Kishikawa, J, Tamakoshi, M, Mitsuoka, K, Yokoyama, K. | Deposit date: | 2017-08-10 | Release date: | 2018-01-24 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Cryo EM structure of intact rotary H+-ATPase/synthase from Thermus thermophilus Nat Commun, 9, 2018
|
|
8J3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j3t by Molmil](/molmil-images/mine/8j3t) | Complex structure of human cytomegalovirus protease and a non-covalent small-molecule ligand | Descriptor: | (4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide, Assemblin | Authors: | Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y. | Deposit date: | 2023-04-18 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases. Acs Med.Chem.Lett., 14, 2023
|
|
6SS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ss2 by Molmil](/molmil-images/mine/6ss2) | Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021158 | Descriptor: | Arginase-2, mitochondrial, Fab C0021158 heavy chain (IgG1), ... | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action. Mabs, 12
|
|
5Y1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y1k by Molmil](/molmil-images/mine/5y1k) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-20 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
|
|
5Y3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y3i by Molmil](/molmil-images/mine/5y3i) | |
4CMS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cms by Molmil](/molmil-images/mine/4cms) | X-RAY ANALYSES OF ASPARTIC PROTEINASES IV. STRUCTURE AND REFINEMENT AT 2.2 ANGSTROMS RESOLUTION OF BOVINE CHYMOSIN | Descriptor: | CHYMOSIN B | Authors: | Newman, M, Frazao, C, Khan, G, Tickle, I.J, Blundell, T.L, Safro, M, Andreeva, N, Zdanov, A. | Deposit date: | 1991-11-01 | Release date: | 1991-11-07 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray analyses of aspartic proteinases. IV. Structure and refinement at 2.2 A resolution of bovine chymosin. J.Mol.Biol., 221, 1991
|
|
5Y5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y5h by Molmil](/molmil-images/mine/5y5h) | SF-ROX structure of cytochrome P450nor (NO-bound state) determined at SACLA | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | Authors: | Tosha, T, Nomura, T, Nishida, T, Yamagiwa, R, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Yamashita, A, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
|
|
5YCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ycg by Molmil](/molmil-images/mine/5ycg) | Ancestral myoglobin aMbWp of Pakicetus relative | Descriptor: | Ancestral myoglobin aMbWp of Pakicetus relative, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | Deposit date: | 2017-09-07 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins. Sci Rep, 8, 2018
|
|
6SGZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sgz by Molmil](/molmil-images/mine/6sgz) | Structure of protomer 2 of the ESX-3 core complex | Descriptor: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | Deposit date: | 2019-08-05 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Architecture of the mycobacterial type VII secretion system. Nature, 576, 2019
|
|
6SZT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6szt by Molmil](/molmil-images/mine/6szt) | Crystal structure of YTHDC1 with fragment 10 (DHU_DC1_076) | Descriptor: | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
|
|
8JB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jb7 by Molmil](/molmil-images/mine/8jb7) | Crystal structure of CMY-185 | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2023-05-08 | Release date: | 2023-12-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185. Mbio, 15, 2024
|
|
6T02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t02 by Molmil](/molmil-images/mine/6t02) | Crystal structure of YTHDC1 with fragment 15 (DHU_DC1_169) | Descriptor: | (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
|
|
8JB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jb8 by Molmil](/molmil-images/mine/8jb8) | Crystal structure of CMY-185 complex with ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2023-05-08 | Release date: | 2023-12-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185. Mbio, 15, 2024
|
|
4XUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xuz by Molmil](/molmil-images/mine/4xuz) | Structure of CTX-M-15 bound to RPX-7009 at 1.5 A | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Clifton, M.C, Gardberg, A. | Deposit date: | 2015-01-26 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases. J.Med.Chem., 58, 2015
|
|
1UF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uf2 by Molmil](/molmil-images/mine/1uf2) | The Atomic Structure of Rice dwarf Virus (RDV) | Descriptor: | Core protein P3, Outer capsid protein P8, Structural protein P7 | Authors: | Nakagawa, A, Miyazaki, N, Taka, J, Naitow, H, Ogawa, A, Fujimoto, Z, Mizuno, H, Higashi, T, Watanabe, Y, Omura, T, Cheng, R.H, Tsukihara, T. | Deposit date: | 2003-05-23 | Release date: | 2003-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The atomic structure of rice dwarf virus reveals the self-assembly mechanism of component proteins. Structure, 11, 2003
|
|
6SCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6scv by Molmil](/molmil-images/mine/6scv) | Endothiapepsin in complex with ligand 69 | Descriptor: | Endothiapepsin, GLYCEROL, [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-07-25 | Release date: | 2020-08-26 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Endothiapepsin in complex with ligand 69 To Be Published
|
|
4CWR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cwr by Molmil](/molmil-images/mine/4cwr) | Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
|
|
5YHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yhf by Molmil](/molmil-images/mine/5yhf) | Crystal structure of SecDF in Super-membrane-facing form | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Protein translocase subunit SecDF | Authors: | Tanaka, Y, Tsukazaki, T, Yoshikaie, K, Furukawa, A. | Deposit date: | 2017-09-28 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Remote Coupled Drastic beta-Barrel to beta-Sheet Transition of the Protein Translocation Motor. Structure, 26, 2018
|
|
4BNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bnk by Molmil](/molmil-images/mine/4bnk) | Crystal structure of S. aureus FabI in complex with NADP and 5-fluoro- 2-phenoxyphenol | Descriptor: | 5-fluoro-2-phenoxyphenol, CHLORIDE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
|
|
6SS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ss0 by Molmil](/molmil-images/mine/6ss0) | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021181 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab C0021181 heavy chain (IgG1), ... | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action. Mabs, 12
|
|
4C4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c4k by Molmil](/molmil-images/mine/4c4k) | Crystal structure of the titin M10-Obscurin Ig domain 1 complex | Descriptor: | 1,2-ETHANEDIOL, OBSCURIN, TITIN | Authors: | Pernigo, S, Fukuzawa, A, Gautel, M, Steiner, R.A. | Deposit date: | 2013-09-05 | Release date: | 2014-09-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of the Human Titin:Obscurin Complex Reveals a Conserved Yet Specific Muscle M-Band Zipper Module. J.Mol.Biol., 427, 2015
|
|
3WNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wnl by Molmil](/molmil-images/mine/3wnl) | D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltohexaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase. J.Biol.Chem., 289, 2014
|
|
6T0Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t0z by Molmil](/molmil-images/mine/6t0z) | Crystal structure of YTHDC1 with fragment 23 (ACA_DC1_005) | Descriptor: | SULFATE ION, YTHDC1, ~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
|
|
5Y1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y1s by Molmil](/molmil-images/mine/5y1s) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3,4-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2R)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, (2S)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-21 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3,4-dimethylbenzyl)ureido)-N-hydroxy-4-methylpentanamide To Be Published
|
|
6SX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sx1 by Molmil](/molmil-images/mine/6sx1) | Structure of Rib Standard, a Rib domain from Lactobacillus acidophilus | Descriptor: | Surface protein | Authors: | Cooper, R.E.M, Griffiths, S.C, Turkenburg, J.P, Bateman, A, Potts, J.R. | Deposit date: | 2019-09-24 | Release date: | 2019-12-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|