6HTC
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![BU of 6htc by Molmil](/molmil-images/mine/6htc) | Yeast 20S proteasome with human beta2c (S171G) in complex with ONX 0914 | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-03 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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6HW0
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![BU of 6hw0 by Molmil](/molmil-images/mine/6hw0) | Yeast 20S proteasome in complex with 7 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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7XS6
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![BU of 7xs6 by Molmil](/molmil-images/mine/7xs6) | structure of a membrane-integrated glycosyltransferase with inhibitor | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name), Chitin synthase 1, ... | Authors: | Wu, Y.N, Zhang, M, Yang, Y.Z, Ding, X.Y, Liu, X.T, Zhang, M.J, Yu, H.J. | Deposit date: | 2022-05-12 | Release date: | 2023-05-17 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | structure of a membrane-integrated glycosyltransferase with inhibitor To Be Published
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6TBA
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![BU of 6tba by Molmil](/molmil-images/mine/6tba) | Virion of native gene transfer agent (GTA) particle | Descriptor: | IRON/SULFUR CLUSTER, Phage major capsid protein, HK97 family, ... | Authors: | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | Deposit date: | 2019-11-01 | Release date: | 2020-07-22 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.54 Å) | Cite: | Structure and mechanism of DNA delivery of a gene transfer agent. Nat Commun, 11, 2020
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6HWO
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![BU of 6hwo by Molmil](/molmil-images/mine/6hwo) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335 | Descriptor: | 1,2-ETHANEDIOL, 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-10-12 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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6HX2
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![BU of 6hx2 by Molmil](/molmil-images/mine/6hx2) | |
7XX0
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![BU of 7xx0 by Molmil](/molmil-images/mine/7xx0) | C281S glycylthricin complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7XYL
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![BU of 7xyl by Molmil](/molmil-images/mine/7xyl) | E426Q-glycine-glycylthricin complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-06-01 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7XXM
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![BU of 7xxm by Molmil](/molmil-images/mine/7xxm) | Orf1-glycine-4-aminobutylthricin complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-30 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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6HV4
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![BU of 6hv4 by Molmil](/molmil-images/mine/6hv4) | Yeast 20S proteasome with human beta2i (1-53) in complex with ONX 0914 | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-10 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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6HA1
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![BU of 6ha1 by Molmil](/molmil-images/mine/6ha1) | Cryo-EM structure of a 70S Bacillus subtilis ribosome translating the ErmD leader peptide in complex with telithromycin | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Crowe-McAuliffe, C, Graf, M, Huter, P, Abdelshahid, M, Novacek, J, Wilson, D.N. | Deposit date: | 2018-08-07 | Release date: | 2018-08-29 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for antibiotic resistance mediated by theBacillus subtilisABCF ATPase VmlR. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6HW4
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![BU of 6hw4 by Molmil](/molmil-images/mine/6hw4) | Yeast 20S proteasome in complex with 16 | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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4ZY1
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![BU of 4zy1 by Molmil](/molmil-images/mine/4zy1) | |
6TBV
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![BU of 6tbv by Molmil](/molmil-images/mine/6tbv) | |
5VFR
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![BU of 5vfr by Molmil](/molmil-images/mine/5vfr) | Nucleotide-driven Triple-state Remodeling of the AAA-ATPase Channel in the Activated Human 26S Proteasome | Descriptor: | 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 12, ... | Authors: | Zhu, Y, Wang, W.L, Yu, D, Ouyang, Q, Lu, Y, Mao, Y. | Deposit date: | 2017-04-09 | Release date: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome. Nat Commun, 9, 2018
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6TCL
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![BU of 6tcl by Molmil](/molmil-images/mine/6tcl) | Photosystem I tetramer | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Chen, M, Perez-Boerema, A, Li, S, Amunts, A. | Deposit date: | 2019-11-06 | Release date: | 2020-02-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Distinct structural modulation of photosystem I and lipid environment stabilizes its tetrameric assembly. Nat.Plants, 6, 2020
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6TC3
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6TXC
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![BU of 6txc by Molmil](/molmil-images/mine/6txc) | Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-14 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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5VK0
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6KAE
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![BU of 6kae by Molmil](/molmil-images/mine/6kae) | Crosslinked alpha(Fe-CO)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Light | Descriptor: | BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-21 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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5VKU
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![BU of 5vku by Molmil](/molmil-images/mine/5vku) | An atomic structure of the human cytomegalovirus (HCMV) capsid with its securing layer of pp150 tegument protein | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Tegument protein pp150, ... | Authors: | Yu, X, Jih, J, Jiang, J, Zhou, H. | Deposit date: | 2017-04-24 | Release date: | 2017-06-28 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Atomic structure of the human cytomegalovirus capsid with its securing tegument layer of pp150. Science, 356, 2017
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6TWX
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![BU of 6twx by Molmil](/molmil-images/mine/6twx) | MAGI1_2 complexed with a phosphorylated 16E6 peptide | Descriptor: | 16E6 peptide, CALCIUM ION, CITRIC ACID, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2020-01-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study. Structure, 28, 2020
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7Y0X
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![BU of 7y0x by Molmil](/molmil-images/mine/7y0x) | Orf1-glycine complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-06-06 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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5A59
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![BU of 5a59 by Molmil](/molmil-images/mine/5a59) | The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with T-antigen | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-06-16 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism. J.Biol.Chem., 290, 2015
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6T9N
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![BU of 6t9n by Molmil](/molmil-images/mine/6t9n) | CryoEM structure of human polycystin-2/PKD2 in UDM supplemented with PI(4,5)P2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, Q, Pike, A.C.W, Grieben, M, Baronina, A, Nasrallah, C, Shintre, C, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-28 | Release date: | 2019-11-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2. Structure, 28, 2020
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