1AWF
 
 | | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | | Descriptor: | ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER | | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | | Deposit date: | 1997-10-02 | | Release date: | 1998-10-28 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
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1CYA
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7KNB
 | | Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-09 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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7KMB
 | | ACE2-RBD Focused Refinement Using Symmetry Expansion of Applied C3 for Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-02 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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7KNH
 | | Cryo-EM Structure of Double ACE2-Bound SARS-CoV-2 Trimer Spike at pH 5.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-16 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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1D6E
 | | CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB | | Descriptor: | ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR | | Authors: | Swain, A, Crowther, R, Kammlott, U. | | Deposit date: | 1999-10-13 | | Release date: | 2000-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
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7KMS
 | | Cryo-EM structure of triple ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-03 | | Release date: | 2020-12-09 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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1D5M
 | | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDE AND SEB | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Swain, A.L, Crowther, R, Kammlott, U. | | Deposit date: | 1999-10-07 | | Release date: | 2000-06-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
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9BRU
 | | Intact V-ATPase State 1 in synaptophysin knock-out isolated synaptic vesicles | | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | Deposit date: | 2024-05-11 | | Release date: | 2024-06-19 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
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9BRS
 | | Intact V-ATPase State 2 in synaptophysin knock-out isolated synaptic vesicles | | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | Deposit date: | 2024-05-11 | | Release date: | 2024-06-19 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 631, 2024
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7ZDJ
 | | Complex I from Ovis aries at pH5.5, Open state | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Acyl carrier protein, Complex I subunit B13, ... | | Authors: | Petrova, O, Sazanov, L. | | Deposit date: | 2022-03-29 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
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7Z3A
 | | AMC009 SOSIPv5.2 in complex with Fabs ACS101 and ACS124 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACS101 heavy chain, ... | | Authors: | van Schooten, J, Ward, A. | | Deposit date: | 2022-03-02 | | Release date: | 2022-08-10 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
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4WY4
 | | Crystal structure of autophagic SNARE complex | | Descriptor: | Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8 | | Authors: | Zhao, M, Brunger, A.T. | | Deposit date: | 2014-11-15 | | Release date: | 2015-02-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | ATG14 promotes membrane tethering and fusion of autophagosomes to endolysosomes.
Nature, 520, 2015
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8CYR
 | | Alpha-synuclein fibril from spontaneous control | | Descriptor: | Alpha-synuclein | | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | | Deposit date: | 2022-05-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Distinct cryo-EM structures and functions of alpha-synuclein fibrils amplified from cerebrospinal fluid
To Be Published
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1MXV
 | | crystal titration experiments (AMPA co-crystals soaked in 10 mM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
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1MXY
 | | crystal titration experiments (AMPA co-crystals soaked in 10 uM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Probing the function, conformational plasticity, and dimer-dimer contacts of the GluR2 ligand-binding core: studies of 5-substituted willardiines and GluR2 S1S2 in the crystal.
Biochemistry, 42, 2003
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1MXW
 | | crystal titration experiments (AMPA co-crystals soaked in 1 mM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the function, conformational plasticity, and dimer-dimer contacts of the GluR2 ligand-binding core: studies of 5-substituted willardiines and GluR2 S1S2 in the crystal.
Biochemistry, 42, 2003
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2YYE
 | | Crystal structure of selenophosphate synthetase from Aquifex aeolicus complexed with AMPCPP | | Descriptor: | COBALT (II) ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PHOSPHATE ION, ... | | Authors: | Itoh, Y, Sekine, S, Matsumoto, E, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-29 | | Release date: | 2008-04-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of selenophosphate synthetase essential for selenium incorporation into proteins and RNAs
J.Mol.Biol., 385, 2009
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1MXX
 | | crystal titration experiments (AMPA co-crystals soaked in 100 uM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
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3CUR
 | | Structure of a double methionine mutant of NI-FE hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A. | | Deposit date: | 2008-04-17 | | Release date: | 2008-08-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Experimental approaches to kinetics of gas diffusion in hydrogenase
Proc.Natl.Acad.Sci.Usa, 105, 2008
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1MY0
 | | crystal titration experiments (AMPA co-crystals soaked in 100 nM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
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1MXZ
 | | crystal titration experiments (AMPA co-crystals soaked in 1 uM BrW) | | Descriptor: | GLUTAMATE RECEPTOR 2, ZINC ION | | Authors: | Jin, R, Gouaux, E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-06-10 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the function, conformational plasticity, and dimer-dimer contacts of the GluR2 ligand-binding core: studies of 5-substituted willardiines and GluR2 S1S2 in the crystal.
Biochemistry, 42, 2003
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1N2E
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5A3R
 | | Crystal structure of the (SR) Calcium ATPase E2.BeF3- complex bound to TNP-AMPPCP | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, SARCOPLASMIC/ENDOPLASMIC RETICULUM CALCIUM ATPASE 1, ... | | Authors: | Clausen, J.D, Bublitz, M, Arnou, B, Olesen, C, Andersen, J.P, Moller, J.V, Nissen, P. | | Deposit date: | 2015-06-02 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal Structure of the Vanadate-Inhibited Ca(2+)-ATPase.
Structure, 24, 2016
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3CUS
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