7TL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tl0 by Molmil](/molmil-images/mine/7tl0) | Cryo-EM structure of hMPV preF bound by Fabs MPE8 and SAN32-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ... | Authors: | Rush, S.A, Hsieh, C.-L, McLellan, J.S. | Deposit date: | 2022-01-17 | Release date: | 2022-09-14 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Characterization of prefusion-F-specific antibodies elicited by natural infection with human metapneumovirus. Cell Rep, 40, 2022
|
|
5Y5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y5w by Molmil](/molmil-images/mine/5y5w) | |
7ZYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zyj by Molmil](/molmil-images/mine/7zyj) | |
8CYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cyf by Molmil](/molmil-images/mine/8cyf) | WhiB3 bound to SigmaAr4-RNAP Beta flap tip chimera and DNA | Descriptor: | CACODYLATE ION, DNA (5'-D(*CP*AP*CP*CP*AP*CP*AP*AP*CP*CP*GP*AP*TP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*AP*AP*TP*CP*GP*GP*TP*TP*GP*TP*GP*GP*T)-3'), ... | Authors: | Wan, T, Zhang, L.M. | Deposit date: | 2022-05-23 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis. J.Biol.Chem., 299, 2023
|
|
3G3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g3e by Molmil](/molmil-images/mine/3g3e) | |
8AHH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ahh by Molmil](/molmil-images/mine/8ahh) | |
8AHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ahg by Molmil](/molmil-images/mine/8ahg) | |
8AHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ahe by Molmil](/molmil-images/mine/8ahe) | PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | Descriptor: | SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide | Authors: | Baker, L.M, Murray, J.B, Hubbard, R.E. | Deposit date: | 2022-07-21 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
|
|
8AHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ahi by Molmil](/molmil-images/mine/8ahi) | |
8AHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ahf by Molmil](/molmil-images/mine/8ahf) | PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | Descriptor: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase | Authors: | Baker, L.M, Murray, J.B, Hubbard, R.E. | Deposit date: | 2022-07-21 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
|
|
4L0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l0k by Molmil](/molmil-images/mine/4l0k) | |
4YZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yzk by Molmil](/molmil-images/mine/4yzk) | |
3M4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3m4q by Molmil](/molmil-images/mine/3m4q) | |
6JQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jqh by Molmil](/molmil-images/mine/6jqh) | Crystal structure of MaDA | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MaDA | Authors: | Du, X.X, Lei, X.G. | Deposit date: | 2019-03-31 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis. Nat.Chem., 12, 2020
|
|
3MWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mwu by Molmil](/molmil-images/mine/3mwu) | Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95 | Descriptor: | 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2010-05-06 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii. ACS Med Chem Lett, 1, 2010
|
|
4YZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yzl by Molmil](/molmil-images/mine/4yzl) | Crystal structure of the indole prenyltransferase TleC complexed with indolactam V and DMSPP | Descriptor: | (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Tryptophan dimethylallyltransferase | Authors: | Mori, T, Morita, H, Abe, I. | Deposit date: | 2015-03-25 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases. Nat Commun, 7, 2016
|
|
5HDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hdx by Molmil](/molmil-images/mine/5hdx) | |
5HE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5he4 by Molmil](/molmil-images/mine/5he4) | BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium | Descriptor: | (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P. | Deposit date: | 2016-01-05 | Release date: | 2016-03-16 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
|
|
7V2R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v2r by Molmil](/molmil-images/mine/7v2r) | Active state complex I from Q1-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-09 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
|
|
7V2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v2e by Molmil](/molmil-images/mine/7v2e) | Active state complex I from Q10-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-08 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
|
|
7V2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v2d by Molmil](/molmil-images/mine/7v2d) | Deactive state complex I from Q10 dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-08 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
|
|
7V33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v33 by Molmil](/molmil-images/mine/7v33) | Active state complex I from rotenone-NADH dataset | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-10 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
|
|
7V30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v30 by Molmil](/molmil-images/mine/7v30) | Deactive state complex I from Q1-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-10 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
|
|
7V2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v2k by Molmil](/molmil-images/mine/7v2k) | Deactive state complex I from DQ-NADH dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-09 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
|
|
7V32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v32 by Molmil](/molmil-images/mine/7v32) | Deactive state complex I from rotenone dataset | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-08-10 | Release date: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
|
|