5Q0W
 
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid, Bile acid receptor, cDNA FLJ76652, ... | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q12
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | 2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q1G
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | (2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q1L
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000073a | | Descriptor: | (6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid, DNA cross-link repair 1A protein, MALONATE ION, ... | | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-05-15 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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4Y1Z
 | | Complex of human Galectin-1 and Galbeta1-4(6CO2)GlcNAc | | Descriptor: | Galectin-1, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranosiduronic acid | | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | | Deposit date: | 2015-02-09 | | Release date: | 2016-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
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3LE0
 | | Lectin Domain of Lectinolysin complexed with Glycerol | | Descriptor: | CALCIUM ION, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Feil, S.C. | | Deposit date: | 2010-01-13 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of the lectin regulatory domain of the cholesterol-dependent cytolysin lectinolysin reveals the basis for its lewis antigen specificity.
Structure, 20, 2012
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4Y1Y
 | | Complex of human Galectin-1 and (6OSO3)Galbeta1-3GlcNAc | | Descriptor: | Galectin-1, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside | | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | | Deposit date: | 2015-02-09 | | Release date: | 2016-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
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4Y28
 | | The structure of plant photosystem I super-complex at 2.8 angstrom resolution. | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Mazor, Y, Brovikov, A, Nelson, N. | | Deposit date: | 2015-02-09 | | Release date: | 2015-08-19 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structure of plant photosystem I super-complex at 2.8 angstrom resolution.
Elife, 4, 2015
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1NIK
 | | Wild Type RNA Polymerase II | | Descriptor: | DNA-directed RNA polymerase I, II and III 23 kDa polypeptide, DNA-directed RNA polymerase II, ... | | Authors: | Bushnell, D.A, Kornberg, R.D. | | Deposit date: | 2002-12-24 | | Release date: | 2003-04-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Complete, 12-subunit RNA Polymerase II at 4.1-A resolution: implications for the initiation of transcription.
Proc.Natl.Acad.Sci.USA, 100, 2003
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5PNZ
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10162a | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-methoxyphenyl)methyl]-1H-tetrazole, Bromodomain-containing protein 1, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.557 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5Q0U
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q1C
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | (2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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8A98
 | | CRYO-EM STRUCTURE OF LEISHMANIA MAJOR 80S RIBOSOME : snoRNA MUTANT | | Descriptor: | 40S ribosomal protein S12, 40S ribosomal protein S14, 40S ribosomal protein S19-like protein, ... | | Authors: | Rajan, K.S, Yonath, A, Bashan, A. | | Deposit date: | 2022-06-28 | | Release date: | 2023-10-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.46 Å) | | Cite: | Structural and mechanistic insights into the function of Leishmania ribosome lacking a single pseudouridine modification.
Cell Rep, 43, 2024
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6QDV
 | | Human post-catalytic P complex spliceosome | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | | Authors: | Fica, S.M, Oubridge, C, Wilkinson, M.E, Newman, A.J, Nagai, K. | | Deposit date: | 2019-01-03 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A human postcatalytic spliceosome structure reveals essential roles of metazoan factors for exon ligation.
Science, 363, 2019
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7W4M
 | | Deactive state CI from Q1-NADH dataset, Subclass 4 | | 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, Yang, M. | | Deposit date: | 2021-11-28 | | Release date: | 2023-01-25 | | Last modified: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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3HKI
 | | Crystal structure of murine thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 1, Thrombin heavy chain, ... | | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. | | Deposit date: | 2009-05-23 | | Release date: | 2009-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A.
J.Biol.Chem., 284, 2009
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1KZ5
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1KZ2
 | | Solution structure of the third helix of Antennapedia homeodomain derivative [W6F,W14F] | | Descriptor: | Antennapedia protein | | Authors: | Czajlik, A, Mesko, E, Penke, B, Perczel, A. | | Deposit date: | 2002-02-06 | | Release date: | 2002-02-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Investigation of penetratin peptides. Part 1. The environment dependent conformational properties of penetratin and two of its derivatives.
J.Pept.Sci., 8, 2002
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3I55
 | | Co-crystal structure of Mycalamide A Bound to the Large Ribosomal Subunit | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ... | | Authors: | Gurel, G, Blaha, G, Steitz, T.A, Moore, P.B. | | Deposit date: | 2009-07-03 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structures of triacetyloleandomycin and mycalamide A bind to the large ribosomal subunit of Haloarcula marismortui.
Antimicrob.Agents Chemother., 53, 2009
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8ATF
 | | Nucleosome-bound Ino80 ATPase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (226-MER), DNA (227-MER), ... | | Authors: | Kunert, F, Metzner, F.J, Eustermann, S, Jung, J, Woike, S, Schall, K, Kostrewa, D, Hopfner, K.P. | | Deposit date: | 2022-08-23 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Sci Adv, 8, 2022
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8AAG
 | | H1-bound palindromic nucleosome, state 1 | | Descriptor: | DNA/RNA (185-MER), Histone H1.0-B, Histone H2A type 1, ... | | Authors: | Alegrio Louro, J, Beinsteiner, B, Cheng, T.C, Patel, A.K.M, Boopathi, R, Angelov, D, Hamiche, A, Bednar, J, Kale, S, Dimitrov, S, Klaholz, B. | | Deposit date: | 2022-07-01 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms.
Structure, 31, 2023
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7XD1
 | | cryo-EM structure of unmodified nucleosome | | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | | Deposit date: | 2022-03-26 | | Release date: | 2022-04-20 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
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6Q9A
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7XPX
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1M5L
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