8SOU
| Proteinase K Multiconformer Model at 363K | Descriptor: | ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-04-30 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SQV
| Proteinase K Multiconformer Model at 333K | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-05-04 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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8SOG
| Proteinase K Multiconformer Model at 313K | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-04-28 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
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7UAC
| Human pro-meprin alpha (zymogen state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Meprin A subunit alpha, ... | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | Deposit date: | 2022-03-12 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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6I58
| Allosteric activation of human prekallikrein by apple domain disc rotation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Li, C, Pathak, M, McCrae, K, Dreveny, I, Emsley, J. | Deposit date: | 2018-11-13 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J.Thromb.Haemost., 17, 2019
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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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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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7ZVA
| Crystal Structure of the native zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 1.80 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C-terminal peptidase, ... | Authors: | Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-14 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
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7ZU8
| Crystal Structure of the zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 2.05 A resolution in presence of the crystallophore Lu-Xo4. | Descriptor: | 12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2022-05-11 | Release date: | 2022-08-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy. Nat Commun, 13, 2022
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2G81
| Crystal Structure of the Bowman-Birk Inhibitor from Vigna unguiculata Seeds in Complex with Beta-trypsin at 1.55 Angstrons Resolution | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Bowman-Birk type seed trypsin and chymotrypsin inhibitor, ... | Authors: | Freitas, S.M, Barbosa, J.A.R.G, Paulino, L.S, Teles, R.C.L, Esteves, G.F, Ventura, M.M. | Deposit date: | 2006-03-01 | Release date: | 2007-01-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of the Bowman-Birk Inhibitor from Vigna unguiculata Seeds in Complex with {beta}-Trypsin at 1.55 A Resolution and Its Structural Properties in Association with Proteinases Biophys.J., 92, 2007
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1SSX
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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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2J8J
| Solution Structure of the A4 Domain of Blood Coagulation Factor XI | Descriptor: | COAGULATION FACTOR XI | Authors: | Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H. | Deposit date: | 2006-10-25 | Release date: | 2007-10-02 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation. Proc.Natl.Acad.Sci.USA, 104, 2007
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2J8L
| FXI Apple 4 domain loop-out conformation | Descriptor: | COAGULATION FACTOR XI | Authors: | Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H. | Deposit date: | 2006-10-25 | Release date: | 2007-10-02 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation. Proc.Natl.Acad.Sci.USA, 104, 2007
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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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3PBH
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4LVT
| Bcl_2-Navitoclax (ABT-263) Complex | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2 | Authors: | Park, C.H. | Deposit date: | 2013-07-26 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. NAT.MED. (N.Y.), 19, 2013
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4HJI
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4J1Y
| The X-ray crystal structure of human complement protease C1s zymogen | Descriptor: | Complement C1s subcomponent | Authors: | Perry, A.J, Wijeyewickrema, L.C, Wilmann, P.G, Gunzburg, M.J, D'Andrea, L, Irving, J.A, Pang, S.S, Duncan, R.C, Wilce, J.A, Whisstock, J.C, Pike, R.N. | Deposit date: | 2013-02-03 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6645 Å) | Cite: | A Molecular Switch Governs the Interaction between the Human Complement Protease C1s and Its Substrate, Complement C4. J.Biol.Chem., 288, 2013
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4LXD
| Bcl_2-Navitoclax Analog (without Thiophenyl) Complex | Descriptor: | 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2 | Authors: | Park, C.H. | Deposit date: | 2013-07-29 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. NAT.MED. (N.Y.), 19, 2013
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4DKL
| Crystal structure of the mu-opioid receptor bound to a morphinan antagonist | Descriptor: | CHLORIDE ION, CHOLESTEROL, Mu-type opioid receptor, ... | Authors: | Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Mathiesen, J.M, Sunahara, R.K, Pardo, L, Weis, W.I, Kobilka, B.K, Granier, S. | Deposit date: | 2012-02-03 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the {mu}-opioid receptor bound to a morphinan antagonist. Nature, 485, 2012
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4OPH
| X-ray structure of full-length H6N6 NS1 | Descriptor: | Nonstructural protein 1 | Authors: | Carrillo, B, Choi, J.M, Bornholdt, Z.A, Sankaran, S, Rice, A.P, Prasad, B.V.V. | Deposit date: | 2014-02-05 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.158 Å) | Cite: | The Influenza A Virus Protein NS1 Displays Structural Polymorphism. J.Virol., 88, 2014
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2VCY
| Crystal Structure of 2-Enoyl Thioester Reductase of Human FAS II | Descriptor: | SULFATE ION, TRANS-2-ENOYL-COA REDUCTASE | Authors: | Haapalainen, A.M, Pudas, R, Smart, O.S, Wierenga, R.K. | Deposit date: | 2007-09-28 | Release date: | 2008-06-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Enzymological Studies of 2-Enoyl Thioester Reductase of the Human Mitochondrial Fas II Pathway: New Insights Into its Substrate Recognition Properties. J.Mol.Biol., 379, 2008
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4MAN
| Bcl_2-Navitoclax Analog (with Indole) Complex | Descriptor: | 4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1H-indol-5-yloxy)-N-({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide, Apoptosis regulator Bcl-2 | Authors: | Park, C.H. | Deposit date: | 2013-08-16 | Release date: | 2014-01-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. NAT.MED. (N.Y.), 19, 2013
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