7XDJ
 
 | | Crystal structure of actinomycin D-echinomycin-d(AGCGCGT/ACGAGCT) complex | | Descriptor: | 2-CARBOXYQUINOXALINE, CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*AP*GP*CP*(BRU))-3'), ... | | Authors: | Chien, C.M, Satange, R.B, Hou, M.H. | | Deposit date: | 2022-03-27 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.435 Å) | | Cite: | Staggered intercalation of DNA duplexes with base-pair modulation by two distinct drug molecules induces asymmetric backbone twisting and structure polymorphism.
Nucleic Acids Res., 50, 2022
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6ASC
 | | Mre11 dimer in complex with Endonuclease inhibitor PFM04 | | Descriptor: | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, MANGANESE (II) ION, ... | | Authors: | Moiani, D, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2017-08-24 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities.
Meth. Enzymol., 601, 2018
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7F29
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5AJL
 | | Sdsa sulfatase tetragonal | | Descriptor: | ALKYL SULFATASE, ZINC ION | | Authors: | De la Mora, E, Flores-Hernandez, E, Jakoncic, J, Stojanoff, V, Sanchez-Puig, N, Moreno, A. | | Deposit date: | 2015-02-25 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques
J.Appl.Crystallogr., 48, 2015
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1K9B
 | | Crystal structure of the bifunctional soybean Bowman-Birk inhibitor at 0.28 nm resolution. Structural peculiarities in a folded protein conformation | | Descriptor: | BOWMAN-BIRK TYPE PROTEINASE INHIBITOR | | Authors: | Voss, R.H, Ermler, U, Essen, L.O, Wenzl, G, Kim, Y.M, Flecker, P. | | Deposit date: | 2001-10-29 | | Release date: | 2001-11-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the bifunctional soybean Bowman-Birk inhibitor at 0.28-nm resolution. Structural peculiarities in a folded protein conformation.
Eur.J.Biochem., 242, 1996
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7GQU
 | | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7GQT
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7GQS
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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7JTW
 | | Crystal structure of RORgt with compound (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid | | Descriptor: | (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid, GLYCEROL, RAR-related orphan receptor C isoform a variant, ... | | Authors: | Min, X, Wang, Z. | | Deposit date: | 2020-08-18 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of 6-Oxo-4-phenyl-hexanoic acid derivatives as ROR gamma t inverse agonists showing favorable ADME profile.
Bioorg.Med.Chem.Lett., 36, 2021
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7K4F
 | | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 31 | | Descriptor: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | | Deposit date: | 2020-09-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
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4W9A
 | | Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2 | | Descriptor: | Gamma-crystallin B | | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | | Deposit date: | 2014-08-27 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
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4WD4
 | | Crystal structure of human HO1 H25R | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K. | | Deposit date: | 2014-09-06 | | Release date: | 2015-09-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis
Biochemistry, 55, 2016
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5JOD
 | | Structure of proplasmepsin IV from Plasmodium falciparum | | Descriptor: | GLYCEROL, Proplasmepsin IV | | Authors: | Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. | | Deposit date: | 2016-05-02 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.528 Å) | | Cite: | Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
Acta Crystallogr.,Sect.F, 72, 2016
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5NL8
 | | Pex4 of Hansenula Polymorpha | | Descriptor: | Ubiquitin-conjugating enzyme E2-21 kDa | | Authors: | Groves, M, Williams, C. | | Deposit date: | 2017-04-04 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into K48-linked ubiquitin chain formation by the Pex4p-Pex22p complex.
Biochem. Biophys. Res. Commun., 496, 2018
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4IGD
 | | Crystal structure of the zymogen catalytic region of Human MASP-1 | | Descriptor: | GLYCEROL, Mannan-binding lectin serine protease 1 | | Authors: | Harmat, V, Megyeri, M, Vegh, A, Dobo, J. | | Deposit date: | 2012-12-17 | | Release date: | 2013-02-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Quantitative characterization of the activation steps of mannan-binding lectin (MBL)-associated serine proteases (MASPs) points to the central role of MASP-1 in the initiation of the complement lectin pathway
J.Biol.Chem., 288, 2013
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4P9A
 | | X-ray Crystal Structure of PA protein from Influenza strain H7N9 | | Descriptor: | GLYCEROL, Polymerase PA | | Authors: | Fairman, J.W, Moen, S.O, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-04-02 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1999 Å) | | Cite: | Structural analysis of H1N1 and H7N9 influenza A virus PA in the absence of PB1.
Sci Rep, 4, 2014
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4NP8
 | | Structure of an amyloid forming peptide VQIVYK from the second repeat region of tau (alternate polymorph) | | Descriptor: | Microtubule-associated protein tau | | Authors: | Landau, M, Eisenberg, D, Sawaya, M.R, Dannenberg, J, Kobko, N. | | Deposit date: | 2013-11-20 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
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8SRZ
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1ZJK
 | | Crystal structure of the zymogen catalytic region of human MASP-2 | | Descriptor: | Mannan-binding lectin serine protease 2 | | Authors: | Gal, P, Harmat, V, Kocsis, A, Bian, T, Barna, L, Ambrus, G, Vegh, B, Balczer, J, Sim, R.B, Naray-Szabo, G, Zavodszky, P. | | Deposit date: | 2005-04-29 | | Release date: | 2005-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | A True Autoactivating Enzyme: Structural insight into mannose-binding lectin-associated serine protease-2 activations
J.Biol.Chem., 280, 2005
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7A8X
 | | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikC with the HMA domain of Pikh-1 from rice (Oryza sativa) | | Descriptor: | AVR-Pik protein, NBS-LRR class disease resistance protein | | Authors: | Maidment, J.H.R, Xiao, G, Franceschetti, M, Banfield, M.J. | | Deposit date: | 2020-08-31 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The allelic rice immune receptor Pikh confers extended resistance to strains of the blast fungus through a single polymorphism in the effector binding interface.
Plos Pathog., 17, 2021
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3CSJ
 | | Human glutathione s-transferase p1-1 in complex with chlorambucil | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ... | | Authors: | Parker, L.J. | | Deposit date: | 2008-04-09 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
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3M0P
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3M0S
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3M0R
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1WVM
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