8CC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cc4 by Molmil](/molmil-images/mine/8cc4) | LasB bound to phosphonic acid based inhibitor | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | Authors: | Mueller, R, Sikandar, A. | Deposit date: | 2023-01-26 | Release date: | 2023-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections. Acs Cent.Sci., 9, 2023
|
|
6WRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wrp by Molmil](/molmil-images/mine/6wrp) | Crystal Structure of PI3-E12 Fab, An Antibody Against Human Parainfluenza Virus Type III | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Weidle, C, Pancera, M. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Protective antibodies against human parainfluenza virus type 3 infection. Mabs, 13, 2021
|
|
8CO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8co3 by Molmil](/molmil-images/mine/8co3) | |
8CO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8co0 by Molmil](/molmil-images/mine/8co0) | |
5J78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j78 by Molmil](/molmil-images/mine/5j78) | Crystal structure of an Acetylating Aldehyde Dehydrogenase from Geobacillus thermoglucosidasius | Descriptor: | ACETATE ION, Acetaldehyde dehydrogenase (Acetylating), GLYCEROL, ... | Authors: | Crennell, S.J, Extance, J.P, Danson, M.J. | Deposit date: | 2016-04-06 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius. Protein Sci., 25, 2016
|
|
5J7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j7i by Molmil](/molmil-images/mine/5j7i) | |
5TUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tuq by Molmil](/molmil-images/mine/5tuq) | Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase | Descriptor: | 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | Authors: | Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2016-11-07 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase. Eur J Med Chem, 128, 2017
|
|
7Y86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y86 by Molmil](/molmil-images/mine/7y86) | CcpS mutant | Descriptor: | UPF0297 protein A7J08_00425 | Authors: | Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J. | Deposit date: | 2022-06-22 | Release date: | 2023-05-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis. Nat Commun, 14, 2023
|
|
7Y8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y8z by Molmil](/molmil-images/mine/7y8z) | CcpS | Descriptor: | UPF0297 protein A7J08_00425 | Authors: | Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J. | Deposit date: | 2022-06-24 | Release date: | 2023-05-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis. Nat Commun, 14, 2023
|
|
2LVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lvm by Molmil](/molmil-images/mine/2lvm) | |
3QGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qgt by Molmil](/molmil-images/mine/3qgt) | Crystal structure of Wild-type PfDHFR-TS COMPLEXED WITH NADPH, dUMP AND PYRIMETHAMINE | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Yuthavong, Y. | Deposit date: | 2011-01-24 | Release date: | 2011-06-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trypanosomal dihydrofolate reductase reveals natural antifolate resistance Acs Chem.Biol., 6, 2011
|
|
7XMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xmh by Molmil](/molmil-images/mine/7xmh) | Crystal structure of a rice class IIIb chitinase, Oschib2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Putative class III chitinase | Authors: | Jun, T, Tomoya, T, Tomoyuki, N, Takayuki, O. | Deposit date: | 2022-04-25 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Characterization of two rice GH18 chitinases belonging to family 8 of plant pathogenesis-related proteins. Plant Sci., 326, 2023
|
|
4FFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ffv by Molmil](/molmil-images/mine/4ffv) | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | Descriptor: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | Deposit date: | 2012-06-01 | Release date: | 2012-12-12 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
|
|
4FFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ffw by Molmil](/molmil-images/mine/4ffw) | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | Deposit date: | 2012-06-01 | Release date: | 2012-12-12 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
|
|
4QQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qqc by Molmil](/molmil-images/mine/4qqc) | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations | Descriptor: | Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION | Authors: | Huang, Z, Mohammadi, M. | Deposit date: | 2014-06-27 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4R6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r6v by Molmil](/molmil-images/mine/4r6v) | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations | Descriptor: | Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION | Authors: | Huang, Z, Mohammadi, M. | Deposit date: | 2014-08-26 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.353 Å) | Cite: | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
6IUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iuy by Molmil](/molmil-images/mine/6iuy) | Structure of DsGPDH of Dunaliella salina | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, GLYCEROL, Glycerol-3-phosphate dehydrogenase [NAD(+)], ... | Authors: | He, Q, Toh, J.D, Ero, R, Qiao, Z, Kumar, V, Gao, Y.G. | Deposit date: | 2018-12-01 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The unusual di-domain structure of Dunaliella salina glycerol-3-phosphate dehydrogenase enables direct conversion of dihydroxyacetone phosphate to glycerol. Plant J., 102, 2020
|
|
8XEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xep by Molmil](/molmil-images/mine/8xep) | Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin | Descriptor: | SULFATE ION, Type IV effector MavL, Ubiquitin | Authors: | Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q. | Deposit date: | 2023-12-12 | Release date: | 2024-05-01 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
|
|
5V3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v3b by Molmil](/molmil-images/mine/5v3b) | |
5V3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v3p by Molmil](/molmil-images/mine/5v3p) | |
5KAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kae by Molmil](/molmil-images/mine/5kae) | |
7ZOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zoc by Molmil](/molmil-images/mine/7zoc) | |
7AT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7at6 by Molmil](/molmil-images/mine/7at6) | Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane | Descriptor: | L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ... | Authors: | Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B. | Deposit date: | 2020-10-29 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL To Be Published
|
|
8PVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pvq by Molmil](/molmil-images/mine/8pvq) | Crystal Structure of Human PTX3 C-terminal domain | Descriptor: | Pentraxin-related protein PTX3 | Authors: | Levy, C.W. | Deposit date: | 2023-07-18 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Pentraxin 3 mediated crosslinking of heavy chain hyaluronan complexes: new insights from structural and biophysical studies To Be Published
|
|
5V0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v0n by Molmil](/molmil-images/mine/5v0n) | BACE1 in complex with inhibitor 5g | Descriptor: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... | Authors: | Mesecar, A, Ghosh, A, Yen, Y.-C. | Deposit date: | 2017-02-28 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands. Bioorg. Med. Chem. Lett., 27, 2017
|
|