2XND
 
 | | Crystal structure of bovine F1-c8 sub-complex of ATP Synthase | | Descriptor: | ATP SYNTHASE LIPID-BINDING PROTEIN, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT ALPHA, ... | | Authors: | Watt, I.N, Montgomery, M.G, Runswick, M.J, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 2010-08-02 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Bioenergetic Cost of Making an Adenosine Triphosphate Molecule in Animal Mitochondria.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4P3C
 | | MT1-MMP:Fab complex (Form I) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Rozenberg, H, Udi, Y, Sagi, I. | | Deposit date: | 2014-03-06 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.943 Å) | | Cite: | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
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6D3X
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4PAR
 | | The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2014-04-09 | | Release date: | 2014-06-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
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3TBG
 | | Human cytochrome P450 2D6 with two thioridazines bound in active site | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, GLYCEROL, ... | | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | | Deposit date: | 2011-08-05 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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4PMW
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8G1W
 | | Crystal Structure Matriptase (C731S) in Complex with Inhibitor VD4162B | | Descriptor: | CHLORIDE ION, Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM), Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ), ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-07 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Mechanism-Based Macrocyclic Inhibitors of Serine Proteases.
J.Med.Chem., 67, 2024
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6EHA
 | | Heme oxygenase 1 in complex with inhibitor | | Descriptor: | 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Grudnik, P, Mieczkowski, M. | | Deposit date: | 2017-09-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment.
Arch.Biochem.Biophys., 671, 2019
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4N1K
 | | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | | Descriptor: | NACHT, LRR and PYD domains-containing protein 14 | | Authors: | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | | Deposit date: | 2013-10-04 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
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6EEC
 | | Mycobacterium tuberculosis RNAP promoter unwinding intermediate complex with RbpA/CarD and AP3 promoter captured by Corallopyronin | | Descriptor: | DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | | Deposit date: | 2018-08-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
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8G1V
 | | Crystal Structure Matriptase (C731S) in Complex with Inhibitor MM1132-2 | | Descriptor: | CHLORIDE ION, GLYCEROL, N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | | Deposit date: | 2023-02-03 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Use of protease substrate specificity screening in the rational design of selective protease inhibitors with unnatural amino acids: Application to HGFA, matriptase, and hepsin
Protein Sci., 33, 2024
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4P3D
 | | MT1-MMP:Fab complex (Form II) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Rozenberg, H, Udi, Y, Sagi, I. | | Deposit date: | 2014-03-07 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
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2XNS
 | | Crystal Structure Of Human G alpha i1 Bound To A Designed Helical Peptide Derived From The Goloco Motif Of RGS14 | | Descriptor: | GUANINE NUCLEOTIDE-BINDING PROTEIN G(I) SUBUNIT ALPHA-1, GUANOSINE-5'-DIPHOSPHATE, REGULATOR OF G-PROTEIN SIGNALING 14, ... | | Authors: | Bosch, D, Sammond, D.W, Butterfoss, G.L, Machius, M, Siderovski, D.P, Kuhlman, B. | | Deposit date: | 2010-08-05 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Computational Design of the Sequence and Structure of a Protein-Binding Peptide.
J.Am.Chem.Soc., 133, 2011
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6O5Y
 | | Structure of Human Cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) | | Descriptor: | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, Cytochrome P450 1A1, NITRATE ION, ... | | Authors: | Bart, A.G, Scott, E.E. | | Deposit date: | 2019-03-04 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Human Cytochrome P450 1A1 Adapts Active Site for Atypical Nonplanar Substrate.
Drug Metab.Dispos., 48, 2020
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6CSB
 | | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | | Authors: | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | | Deposit date: | 2018-03-20 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
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4JQL
 | | Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams from Shikimic Acid | | Descriptor: | Heat shock protein HSP 90-alpha, MAGNESIUM ION, valerjesomycin | | Authors: | Jeso, V, Iqbal, S, Hernandez, P, Cameron, M.D, Park, H, Lograsso, P.V, Micalizio, G.C. | | Deposit date: | 2013-03-20 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Synthesis of benzoquinone ansamycin-inspired macrocyclic lactams from shikimic Acid.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4NCT
 | | Human DYRK1A in complex with PKC412 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PKC412 | | Authors: | Alexeeva, M.O, Rothweiler, U. | | Deposit date: | 2013-10-25 | | Release date: | 2015-04-01 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals disulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine.
Acta Crystallogr.,Sect.D, 71, 2015
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4OBH
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4O97
 | | Crystal structure of matriptase in complex with inhibitor | | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | | Deposit date: | 2014-01-02 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
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4O9V
 | | Crystal structure of matriptase in complex with inhibitor | | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | | Deposit date: | 2014-01-03 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
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3VOU
 | | The crystal structure of NaK-NavSulP chimera channel | | Descriptor: | COBALT (II) ION, Ion transport 2 domain protein, Voltage-gated sodium channel, ... | | Authors: | Irie, K, Shimomura, T, Fujiyoshi, Y. | | Deposit date: | 2012-02-10 | | Release date: | 2012-05-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The C-terminal helical bundle of the tetrameric prokaryotic sodium channel accelerates the inactivation rate
Nat Commun, 3, 2012
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4OBG
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4OUA
 | | Coexistent single-crystal structure of latent and active mushroom tyrosinase (abPPO4) mediated by a hexatungstotellurate(VI) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-tungstotellurate(VI), COPPER (I) ION, ... | | Authors: | St.Mauracher, G, Molitor, C, Al-Oweini, R, Kortz, U, Rompel, A. | | Deposit date: | 2014-02-15 | | Release date: | 2014-06-25 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.763 Å) | | Cite: | Latent and active abPPO4 mushroom tyrosinase cocrystallized with hexatungstotellurate(VI) in a single crystal.
Acta Crystallogr.,Sect.D, 70, 2014
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6OEE
 | | Structure of CagT from a cryo-EM reconstruction of a T4SS | | Descriptor: | Type IV secretion system apparatus protein CagT | | Authors: | Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D. | | Deposit date: | 2019-03-27 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
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6OGD
 | | Cryo-EM structure of YenTcA in its prepore state | | Descriptor: | Chitinase 2, Toxin subunit YenA1, Toxin subunit YenA2 | | Authors: | Piper, S.J, Brillault, L, Box, J.K, Landsberg, M.J. | | Deposit date: | 2019-04-02 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structures of the pore-forming A subunit from the Yersinia entomophaga ABC toxin.
Nat Commun, 10, 2019
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