5WEY
| Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Kovalevsky, A, Gerlits, O.O, Woods, R.J. | Deposit date: | 2017-07-11 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography. Biochemistry, 56, 2017
|
|
6W1R
| RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6W1V
| RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-06-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6W1O
| RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.08 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6W1P
| RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6VRK
| Cryo-EM structure of the wild-type human serotonin transporter complexed with Br-paroxetine and 8B6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | Authors: | Coleman, J.A, Navratna, V, Yang, D. | Deposit date: | 2020-02-07 | Release date: | 2020-03-11 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
|
|
5W80
| Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 | Descriptor: | 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-21 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237 To be published
|
|
6W58
| hPGDS complexed with an aza-quinoline | Descriptor: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase | Authors: | Elkins, P.A, Ward, P. | Deposit date: | 2020-03-12 | Release date: | 2020-11-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure. Bioorg.Med.Chem., 28, 2020
|
|
5W8R
| Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-22 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI To be published
|
|
6WAQ
| |
6VRH
| Cryo-EM structure of the wild-type human serotonin transporter complexed with paroxetine and 8B6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | Authors: | Coleman, J.A, Navratna, V, Yang, D. | Deposit date: | 2020-02-07 | Release date: | 2020-03-11 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
|
|
6WAR
| |
5W91
| Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 | Descriptor: | 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-22 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 To be published
|
|
6VRL
| Cryo-EM structure of the wild-type human serotonin transporter complexed with I-paroxetine and 8B6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | Authors: | Coleman, J.A, Navratna, V, Yang, D. | Deposit date: | 2020-02-07 | Release date: | 2020-03-11 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
|
|
6W2B
| Anomalous bromine signal reveals the position of Br-paroxetine complexed with the serotonin transporter at the central site | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, ... | Authors: | Coleman, J.A, Navratna, V, Yang, D. | Deposit date: | 2020-03-05 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (4.7 Å) | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
|
|
2BF1
| Structure of an unliganded and fully-glycosylated SIV gp120 envelope glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chen, B, Vogan, E.M, Gong, H, Skehel, J.J, Wiley, D.C, Harrison, S.C. | Deposit date: | 2004-12-02 | Release date: | 2005-02-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structure of an Unliganded Simian Immunodeficiency Virus Gp120 Core Nature, 433, 2005
|
|
6W7B
| K2P2.1 (TREK-1), 0 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-19 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.88 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
|
|
6CDE
| Cryo-EM structure at 3.8 A resolution of vaccine-elicited antibody vFP20.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ... | Authors: | Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D. | Deposit date: | 2018-02-08 | Release date: | 2018-05-16 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1. Nat. Med., 24, 2018
|
|
6W4M
| CRYSTAL STRUCTURE OF THE ADCC-POTENT, WEAKLY NEUTRALIZING HIV ENV CO-RECEPTOR BINDING SITE ANTIBODY N12-I2 FAB IN COMPLEX WITH HIV-1 CLADE A/E GP120 AND M48U1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTI-HIV ANTIBODY N12-I2 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY N12-I2 FAB LIGHT CHAIN, ... | Authors: | Tolbert, W.D, Gohain, N, Pazgier, M. | Deposit date: | 2020-03-11 | Release date: | 2020-08-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Defining rules governing recognition and Fc-mediated effector functions to the HIV-1 co-receptor binding site. Bmc Biol., 18, 2020
|
|
6W82
| K2P2.1 (TREK-1), 50 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
|
|
2BOS
| A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR | Descriptor: | N-BUTANE, PROTEIN (SHIGA-LIKE TOXIN IIE B SUBUNIT), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, ... | Authors: | Ling, H, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J. | Deposit date: | 1998-10-20 | Release date: | 1999-10-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A mutant Shiga-like toxin IIe bound to its receptor Gb(3): structure of a group II Shiga-like toxin with altered binding specificity. Structure Fold.Des., 8, 2000
|
|
6VPJ
| |
5W9R
| Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138 | Descriptor: | 1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | Deposit date: | 2017-06-23 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138 To be published
|
|
6CUF
| Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody vFP1.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D. | Deposit date: | 2018-03-26 | Release date: | 2018-07-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV. PLoS Pathog., 14, 2018
|
|
6CUE
| Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody vFP7.04 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D. | Deposit date: | 2018-03-26 | Release date: | 2018-07-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV. PLoS Pathog., 14, 2018
|
|