7V31
| Active state complex I from rotenone 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 (2.9 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7UHF
| Human L-type voltage-gated calcium channel Cav1.3 in the presence of cinnarizine at 3.1 Angstrom resolution | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-03-26 | Release date: | 2022-05-11 | Last modified: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for pore blockade of human voltage-gated calcium channel Ca v 1.3 by motion sickness drug cinnarizine. Cell Res., 32, 2022
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7VIE
| Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with S1P | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B. | Deposit date: | 2021-09-26 | Release date: | 2022-09-28 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structural insights into sphingosine-1-phosphate receptor activation. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VR8
| Inward-facing structure of human EAAT2 in the substrate-free state | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, ... | Authors: | Kato, T, Kusakizako, T, Yamashita, K, Nishizawa, T, Nureki, O. | Deposit date: | 2021-10-22 | Release date: | 2022-08-10 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into inhibitory mechanism of human excitatory amino acid transporter EAAT2. Nat Commun, 13, 2022
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7VR7
| Inward-facing structure of human EAAT2 in the WAY213613-bound state | Descriptor: | (2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Kato, T, Kusakizako, T, Yamashita, K, Nishizawa, T, Nureki, O. | Deposit date: | 2021-10-22 | Release date: | 2022-08-10 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insights into inhibitory mechanism of human excitatory amino acid transporter EAAT2. Nat Commun, 13, 2022
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7VYF
| Matrix arm of active state CI from Rotenone 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, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ... | Authors: | Gu, J.K, Yang, M.J. | Deposit date: | 2021-11-14 | Release date: | 2022-11-23 | Last modified: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The coupling mechanism of mammalian mitochondrial complex I. Nat.Struct.Mol.Biol., 29, 2022
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7VZG
| Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form) | Descriptor: | BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ... | Authors: | Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F. | Deposit date: | 2021-11-16 | Release date: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c. Nat Commun, 13, 2022
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3TZV
| Crystal structure of an iNKT TCR in complex with CD1d-lysophosphatidylcholine | Descriptor: | (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ... | Authors: | Lopez-Sagaseta, J, Adams, E.J. | Deposit date: | 2011-09-27 | Release date: | 2012-04-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.056 Å) | Cite: | Lysophospholipid presentation by CD1d and recognition by a human Natural Killer T-cell receptor. Embo J., 31, 2012
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3TKY
| Monolignol o-methyltransferase (momt) | Descriptor: | (Iso)eugenol O-methyltransferase, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Bhuiya, M.W, Liu, C.J. | Deposit date: | 2011-08-29 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | An engineered monolignol 4-o-methyltransferase depresses lignin biosynthesis and confers novel metabolic capability in Arabidopsis. Plant Cell, 24, 2012
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3RXW
| KPC-2 carbapenemase in complex with PSR3-226 | Descriptor: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid, CITRIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | Authors: | Ke, W, van den Akker, F. | Deposit date: | 2011-05-10 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226. Antimicrob.Agents Chemother., 56, 2012
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3RV9
| Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Ethyl R-Group | Descriptor: | 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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7LID
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3S1F
| Asp169Glu mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2011-05-15 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
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7LHV
| Structure of Arabidopsis thaliana sulfate transporter AtSULTR4;1 | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SULFATE ION, ... | Authors: | Wang, L, Chen, K, Zhou, M. | Deposit date: | 2021-01-26 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Structure and function of an Arabidopsis thaliana sulfate transporter. Nat Commun, 12, 2021
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7LXA
| T4 lysozyme mutant L99A | Descriptor: | (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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3S0E
| Apis mellifera OBP14 in complex with the odorant eugenol (2-methoxy-4(2-propenyl)-phenol) | Descriptor: | 2-methoxy-4-(prop-2-en-1-yl)phenol, OBP14 | Authors: | Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C. | Deposit date: | 2011-05-13 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules. Insect Biochem.Mol.Biol., 42, 2012
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3S0K
| Crystal Structure of Human Glycolipid Transfer Protein complexed with glucosylceramide containing oleoyl acyl chain (18:1) | Descriptor: | (9Z)-N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide, Glycolipid transfer protein, NICKEL (II) ION | Authors: | Cabo-Bilbao, A, Samygina, V, Popov, A.N, Ochoa-Lizarralde, B, Goni-de-Cerio, F, Patel, D.J, Brown, R.E, Malinina, L. | Deposit date: | 2011-05-13 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced selectivity for sulfatide by engineered human glycolipid transfer protein. Structure, 19, 2011
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7LSQ
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3T4Q
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3T7R
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3SZL
| IspH:Ligand Mutants - wt 70sec | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | Deposit date: | 2011-07-19 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis. J.Mol.Biol., 416, 2012
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3STW
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3RV7
| Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Isopropyl R-Group | Descriptor: | 3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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3S1C
| Maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenosine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2011-05-15 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
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3S00
| CDK2 in complex with inhibitor L4-14 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-05-12 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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