6O6W
 
 | | Solution structure of human myeloid-derived growth factor | | Descriptor: | Myeloid-derived growth factor | | Authors: | Bortnov, V, Tonelli, M, Lee, W, Markley, J.L, Mosher, D.F. | | Deposit date: | 2019-03-07 | | Release date: | 2019-11-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human myeloid-derived growth factor suggests a conserved function in the endoplasmic reticulum.
Nat Commun, 10, 2019
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6PMJ
 | | Sigm28-transcription initiation complex with specific promoter at the state 2 | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Liu, B, Shi, W. | | Deposit date: | 2019-07-02 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
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5BY6
 | | Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W. | | Deposit date: | 2015-06-10 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
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5MWV
 | | Solid-state NMR Structure of outer membrane protein G in lipid bilayers | | Descriptor: | Outer membrane protein G | | Authors: | Retel, J.S, Nieuwkoop, A.J, Hiller, M, Higman, V.A, Barbet-Massin, E, Stanek, J, Andreas, L.B, Franks, W.T, van Rossum, B.-J, Vinothkumar, K.R, Handel, L, de Palma, G.G, Bardiaux, B, Pintacuda, G, Emsley, L, Kuelbrandt, W, Oschkinat, H. | | Deposit date: | 2017-01-20 | | Release date: | 2017-12-27 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structure of outer membrane protein G in lipid bilayers.
Nat Commun, 8, 2017
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2XNI
 | | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | | Deposit date: | 2010-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
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2XQR
 | | Crystal structure of plant cell wall invertase in complex with a specific protein inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Hothorn, M, Van den Ende, W, Lammens, W, Rybin, V, Scheffzek, K. | | Deposit date: | 2010-09-07 | | Release date: | 2010-10-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural Insights Into the Ph-Controlled Targeting of Plant Cell-Wall Invertase by a Specific Inhibitor Protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5JUW
 | | complex of Dot1l with SS148 | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Yu, W, Tempel, W, Li, Y, Spurr, S.S, Bayle, E.D, Fish, P.V, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-05-10 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Complex of Dot1l with SS148
To Be Published
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7NRO
 | | Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium | | Descriptor: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | Authors: | Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2021-03-04 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
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6PMI
 | | Sigm28-transcription initiation complex with specific promoter at the state 1 | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Liu, B, Shi, W. | | Deposit date: | 2019-07-02 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
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6PUK
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72 | | Descriptor: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6PUF
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6PUM
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU | | Descriptor: | 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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5LUF
 | | Cryo-EM of bovine respirasome | | Descriptor: | COPPER (II) ION, Cytochrome b, Cytochrome b-c1 complex subunit 1, ... | | Authors: | Sousa, J.S, Mills, D.J, Vonck, J, Kuehlbrandt, W. | | Deposit date: | 2016-09-08 | | Release date: | 2016-11-30 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (9.1 Å) | | Cite: | Functional asymmetry and electron flow in the bovine respirasome.
Elife, 5, 2016
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6PUL
 | | Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU | | Descriptor: | 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6PUE
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU | | Descriptor: | 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6NZS
 | | Dextranase AoDex KQ11 | | Descriptor: | Dextranase | | Authors: | Ren, W, Yan, W, Gu, L, Feng, Y, Dong, D, Wang, S, Wang, C, Lyu, M. | | Deposit date: | 2019-02-14 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus
To Be Published
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5NI1
 | | CryoEM structure of haemoglobin at 3.2 A determined with the Volta phase plate | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Khoshouei, M, Radjainia, M, Bunker, R, Baumeister, W, Danev, R. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-12 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of haemoglobin at 3.2 angstrom determined with the Volta phase plate.
Nat Commun, 8, 2017
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6QCJ
 | | Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate | | Descriptor: | (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2018-12-28 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
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6PUC
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6PUI
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U | | Descriptor: | 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6PUH
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less | | Descriptor: | 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ... | | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6PUJ
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-3`OH-Propyl-5-OP-U | | Descriptor: | 6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6PUD
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-5'OH-Pentyl-5-OP-U | | Descriptor: | 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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5N3U
 | | The structure of the complex of CpcE and CpcF of phycocyanin lyase from Nostoc sp. PCC7120 | | Descriptor: | Phycocyanobilin lyase subunit alpha, Phycocyanobilin lyase subunit beta | | Authors: | Hoeppner, A, Zhao, C, Xu, Q.-Z, Gaertner, W, Scheer, H, Zhao, K.-H. | | Deposit date: | 2017-02-09 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structures and enzymatic mechanisms of phycobiliprotein lyases CpcE/F and PecE/F.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6PUG
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-2`OH-Ethyl-5-OP-U | | Descriptor: | 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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