7JPD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jpd by Molmil](/molmil-images/mine/7jpd) | |
7KBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kbj by Molmil](/molmil-images/mine/7kbj) | Co-crystal structure of alpha glucosidase with compound 9 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-10-02 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
|
|
7KAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kad by Molmil](/molmil-images/mine/7kad) | Co-crystal structure of alpha glucosidase with compound 6 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-30 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
|
|
7KB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kb8 by Molmil](/molmil-images/mine/7kb8) | Co-crystal structure of alpha glucosidase with compound 8 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-10-01 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
|
|
7KBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kbr by Molmil](/molmil-images/mine/7kbr) | Co-crystal structure of alpha glucosidase with compound 10 | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate, CALCIUM ION, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-10-02 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
|
|
4N9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n9o by Molmil](/molmil-images/mine/4n9o) | Probing the N-terminal beta-sheet conversion in the crystal structure of the human prion protein bound to a Nanobody | Descriptor: | Major prion protein, Nanobody Nb484 | Authors: | Abskharon, R.N.N, Giachin, G, Wohlkonig, A, Soror, S.H, Pardon, E, Legname, G, Steyaert, J. | Deposit date: | 2013-10-21 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Probing the N-Terminal beta-Sheet Conversion in the Crystal Structure of the Human Prion Protein Bound to a Nanobody. J.Am.Chem.Soc., 136, 2014
|
|
7K4M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k4m by Molmil](/molmil-images/mine/7k4m) | Crystal structure of MetAP2 Modified Hemoglobin S | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Musayev, F.N, Safo, M.K, Light, D.R. | Deposit date: | 2020-09-15 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease. Blood Adv, 5, 2021
|
|
6L6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l6x by Molmil](/molmil-images/mine/6l6x) | The structure of ScoE with substrate | Descriptor: | (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, D(-)-TARTARIC ACID, FE (II) ION, ... | Authors: | Chen, T.Y, Chen, J, Zhou, J, Chang, W. | Deposit date: | 2019-10-29 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
7KD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kd6 by Molmil](/molmil-images/mine/7kd6) | |
7KBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kbn by Molmil](/molmil-images/mine/7kbn) | 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-10-02 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 1.60 Angstrom resolution crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid at the enzyme beta site. To be Published
|
|
4N34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n34 by Molmil](/molmil-images/mine/4n34) | Structure of langerin CRD I313 with alpha-MeGlcNAc | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2013-10-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
|
|
6LCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lcf by Molmil](/molmil-images/mine/6lcf) | Crystal Structure of beta-L-arabinobiose binding protein - native | Descriptor: | ABC transporter substrate binding component, beta-L-arabinofuranose-(1-2)-beta-L-arabinofuranose | Authors: | Miyake, M, Arakawa, T, Fushinobu, S. | Deposit date: | 2019-11-18 | Release date: | 2020-04-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural analysis of beta-L-arabinobiose-binding protein in the metabolic pathway of hydroxyproline-rich glycoproteins in Bifidobacterium longum. Febs J., 287, 2020
|
|
6LD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ld7 by Molmil](/molmil-images/mine/6ld7) | |
7JV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jv4 by Molmil](/molmil-images/mine/7jv4) | SARS-CoV-2 spike in complex with the S2H13 neutralizing antibody (one RBD open) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2H13 Fab heavy chain, ... | Authors: | Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D. | Deposit date: | 2020-08-20 | Release date: | 2020-10-14 | Last modified: | 2023-01-04 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology. Cell, 183, 2020
|
|
1MCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mcz by Molmil](/molmil-images/mine/1mcz) | BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH AN INHIBITOR, R-MANDELATE | Descriptor: | (R)-MANDELIC ACID, BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, ... | Authors: | Polovnikova, E.S, Bera, A.K, Hasson, M.S. | Deposit date: | 2002-08-06 | Release date: | 2003-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Kinetic Analysis of Catalysis by a Thiamin
Diphosphate-Dependent Enzyme, Benzoylformate Decarboxylase Biochemistry, 42, 2003
|
|
7K3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k3s by Molmil](/molmil-images/mine/7k3s) | |
4MTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mti by Molmil](/molmil-images/mine/4mti) | Crystal structure of cIAP1 BIR3 bound to T3258042 | Descriptor: | (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Snell, G.P, Dougan, D.R. | Deposit date: | 2013-09-19 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells. Bioorg.Med.Chem., 21, 2013
|
|
7KNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kni by Molmil](/molmil-images/mine/7kni) | Cryo-EM structure of Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
|
|
7KHW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7khw by Molmil](/molmil-images/mine/7khw) | |
7L0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l0y by Molmil](/molmil-images/mine/7l0y) | |
7KNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kne by Molmil](/molmil-images/mine/7kne) | Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
|
|
4N1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n1d by Molmil](/molmil-images/mine/4n1d) | Nodal/BMP2 chimera NB250 | Descriptor: | Nodal/BMP2 chimera protein | Authors: | Esquivies, L. | Deposit date: | 2013-10-04 | Release date: | 2013-12-04 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | Designer Nodal/BMP2 Chimeras Mimic Nodal Signaling, Promote Chondrogenesis, and Reveal a BMP2-like Structure. J.Biol.Chem., 289, 2014
|
|
7KP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kp7 by Molmil](/molmil-images/mine/7kp7) | asymmetric mTNF-alpha hTNFR1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor, ... | Authors: | Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T. | Deposit date: | 2020-11-10 | Release date: | 2021-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
|
|
7L0X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l0x by Molmil](/molmil-images/mine/7l0x) | |
7KS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ks6 by Molmil](/molmil-images/mine/7ks6) | STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN FROM LYTECHINUS VARIEGATUS | Descriptor: | 4-O-sulfo-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose | Authors: | Kim, S.B, Thara, R, Aderibigbe, A.O, Doerksen, R.J, Pomin, V.H. | Deposit date: | 2020-11-21 | Release date: | 2020-12-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Conformational properties of l-fucose and the tetrasaccharide building block of the sulfated l-fucan from Lytechinus variegatus. J.Struct.Biol., 209, 2020
|
|