7OMM
 
 | | Cryo-EM structure of N. gonorhoeae LptDE in complex with ProMacrobodies (MBPs have not been built de novo) | | Descriptor: | LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ProMacrobody 21,Maltodextrin-binding protein, ... | | Authors: | Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M. | | Deposit date: | 2021-05-24 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-11 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
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4WSB
 | | Bat Influenza A polymerase with bound vRNA promoter | | Descriptor: | Influenza A polymerase vRNA promoter 3' end, Influenza A polymerase vRNA promoter 5' end, PHOSPHATE ION, ... | | Authors: | Cusack, S, Pflug, A, Guilligay, D, Reich, S. | | Deposit date: | 2014-10-26 | | Release date: | 2014-11-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
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1G6U
 | | CRYSTAL STRUCTURE OF A DOMAIN SWAPPED DIMER | | Descriptor: | DOMAIN SWAPPED DIMER, SULFATE ION, trifluoroacetic acid | | Authors: | Ogihara, N.L, Ghirlanda, G, Bryson, J.W, Gingery, M, DeGrado, W.F, Eisenberg, D. | | Deposit date: | 2000-11-07 | | Release date: | 2001-02-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Design of three-dimensional domain-swapped dimers and fibrous oligomers.
Proc.Natl.Acad.Sci.USA, 98, 2001
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4YFN
 | | Escherichia coli RNA polymerase in complex with squaramide compound 14 (N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide) | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | | Deposit date: | 2015-02-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.817 Å) | | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
J.Med.Chem., 58, 2015
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5KSV
 | | Crystal structure of HLA-DQ2.5-CLIP2 | | Descriptor: | HLA class II histocompatibility antigen gamma chain, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1 | | Authors: | Nguyen, T.B, Jayaraman, P, Bergseng, E, Madhusudhan, M.S, Kim, C.-Y, Sollid, L.M. | | Deposit date: | 2016-07-10 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Unraveling the structural basis for the unusually rich association of human leukocyte antigen DQ2.5 with class-II-associated invariant chain peptides.
J. Biol. Chem., 292, 2017
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1FY8
 | | CRYSTAL STRUCTURE OF THE DELTAILE16VAL17 RAT ANIONIC TRYPSINOGEN-BPTI COMPLEX | | Descriptor: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ... | | Authors: | Pasternak, A, White, A, Jeffery, C.J, Ringe, D, Hedstrom, L. | | Deposit date: | 2000-09-28 | | Release date: | 2000-11-08 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity.
Protein Sci., 10, 2001
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4YN1
 | | THE ATOMIC STRUCTURE OF ANOMALA CUPREA ENTOMOPOXVIRUS (ACEPV) FUSOLIN SPINDLES | | Descriptor: | 1,2-ETHANEDIOL, Fusolin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chiu, E, Bunker, R.D, Metcalf, P. | | Deposit date: | 2015-03-09 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2E2H
 | | RNA polymerase II elongation complex at 5 mM Mg2+ with GTP | | Descriptor: | 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ... | | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.95 Å) | | Cite: | Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
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1G8I
 | | CRYSTAL STRUCTURE OF HUMAN FREQUENIN (NEURONAL CALCIUM SENSOR 1) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Bourne, Y, Dannenberg, J, Pollmann, V, Marchot, P, Pongs, O. | | Deposit date: | 2000-11-17 | | Release date: | 2001-05-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Immunocytochemical localization and crystal structure of human frequenin (neuronal calcium sensor 1).
J.Biol.Chem., 276, 2001
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5JJI
 | | Rho transcription termination factor bound to rU7 and 6 ADP-BeF3 molecules | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Thomsen, N.D, Lawson, M.R, Witkowsky, L.B, Qu, S, Berger, J.M. | | Deposit date: | 2016-04-24 | | Release date: | 2016-11-16 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Molecular mechanisms of substrate-controlled ring dynamics and substepping in a nucleic acid-dependent hexameric motor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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7OJ8
 | | ABCG2 E1S turnover-2 state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | | Authors: | Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | | Deposit date: | 2021-05-14 | | Release date: | 2021-07-21 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
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5JJL
 | | Rho transcription termination factor bound to rU8 and 5 ADP-BeF3 molecules | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Thomsen, N.D, Lawson, M.R, Witkowsky, L.B, Qu, S, Berger, J.M. | | Deposit date: | 2016-04-24 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Molecular mechanisms of substrate-controlled ring dynamics and substepping in a nucleic acid-dependent hexameric motor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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3QYQ
 | | 1.8 Angstrom resolution crystal structure of a putative deoxyribose-phosphate aldolase from Toxoplasma gondii ME49 | | Descriptor: | Deoxyribose-phosphate aldolase, putative, SULFATE ION, ... | | Authors: | Halavaty, A.S, Ruan, J, Minasov, G, Shuvalova, L, Ueno, A, Igarashi, M, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-03-03 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional divergence of the aldolase fold in Toxoplasma gondii.
J.Mol.Biol., 427, 2015
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7OJH
 | | ABCG2 topotecan turnover-1 state | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ... | | Authors: | Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | | Deposit date: | 2021-05-15 | | Release date: | 2021-07-21 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
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7OJI
 | | ABCG2 topotecan turnover-2 state | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ... | | Authors: | Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | | Deposit date: | 2021-05-16 | | Release date: | 2021-07-21 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
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5EDJ
 | | Crystal structure of the Neisseria meningitidis iron-regulated outer membrane lipoprotein FrpD | | Descriptor: | FrpC operon protein | | Authors: | Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I. | | Deposit date: | 2015-10-21 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis.
Sci Rep, 7, 2017
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5EGM
 | | Development of a novel tricyclic class of potent and selective FIXa inhibitors | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | | Deposit date: | 2015-10-27 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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5EI0
 | | Structure of RCL-cleaved vaspin (serpinA12) | | Descriptor: | Serpin A12 | | Authors: | Pippel, J, Kuettner, B.E, Ulbricht, D, Daberger, J, Schultz, S, Heiker, J.T, Strater, N. | | Deposit date: | 2015-10-29 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of cleaved vaspin (serpinA12).
Biol.Chem., 397, 2016
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5IV7
 | | Cryo-electron microscopy structure of the star-shaped, hubless post-attachment T4 baseplate | | Descriptor: | Baseplate wedge protein gp10, Baseplate wedge protein gp11, Baseplate wedge protein gp25, ... | | Authors: | Taylor, N.M.I, Guerrero-Ferreira, R.C, Goldie, K.N, Stahlberg, H, Leiman, P.G. | | Deposit date: | 2016-03-19 | | Release date: | 2016-05-18 | | Last modified: | 2018-02-07 | | Method: | ELECTRON MICROSCOPY (6.77 Å) | | Cite: | Structure of the T4 baseplate and its function in triggering sheath contraction.
Nature, 533, 2016
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7O0T
 | | Crystal structure of Chloroflexus aggregans ene-reductase CaOYE holoenzyme | | Descriptor: | FLAVIN MONONUCLEOTIDE, MALONATE ION, NADH:flavin oxidoreductase/NADH oxidase | | Authors: | Robescu, M.S, Niero, M, Loprete, G, Bergantino, E, Cendron, L. | | Deposit date: | 2021-03-26 | | Release date: | 2021-05-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A New Thermophilic Ene-Reductase from the Filamentous Anoxygenic Phototrophic Bacterium Chloroflexus aggregans .
Microorganisms, 9, 2021
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1FWO
 | | THE SOLUTION STRUCTURE OF A 35-RESIDUE FRAGMENT FROM THE GRANULIN/EPITHELIN-LIKE SUBDOMAIN OF RICE ORYZAIN BETA (ROB 382-416 (C398S,C399S,C407S,C413S)) | | Descriptor: | ORYZAIN BETA CHAIN | | Authors: | Tolkatchev, D, Xu, P, Ni, F. | | Deposit date: | 2000-09-24 | | Release date: | 2001-05-09 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | A peptide derived from the C-terminal part of a plant cysteine protease folds into a stack of two beta-hairpins, a scaffold present in the emerging family of granulin-like growth factors.
J.Pept.Res., 57, 2001
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5EG1
 | | Antibacterial peptide ABC transporter McjD with a resolved lipid | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, ... | | Authors: | Choudhury, H.G, Beis, K. | | Deposit date: | 2015-10-26 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Structural and Functional Basis for Lipid Synergy on the Activity of the Antibacterial Peptide ABC Transporter McjD.
J.Biol.Chem., 291, 2016
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2BOF
 | | Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with cellotetrose | | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | | Deposit date: | 2005-04-10 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
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2BXU
 | | Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | | Descriptor: | 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN | | Authors: | Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. | | Deposit date: | 2005-07-27 | | Release date: | 2006-10-26 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
Lett.Drug Des.Discovery, 3, 2006
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7OS7
 | | Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant | | Descriptor: | 30S ribosomal protein S6,30S ribosomal protein S6 | | Authors: | Wang, H, Logan, D.T, Oliveberg, M. | | Deposit date: | 2021-06-08 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Circular permutant of ribosomal protein S6, swap helix 2, L75A, A92K mutant
To Be Published
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