1AWF
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![BU of 1awf by Molmil](/molmil-images/mine/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
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![BU of 7knb by Molmil](/molmil-images/mine/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
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![BU of 7kmb by Molmil](/molmil-images/mine/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
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![BU of 7knh by Molmil](/molmil-images/mine/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
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![BU of 1d6e by Molmil](/molmil-images/mine/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
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![BU of 7kms by Molmil](/molmil-images/mine/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
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![BU of 1d5m by Molmil](/molmil-images/mine/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
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![BU of 9bru by Molmil](/molmil-images/mine/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
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![BU of 9brs by Molmil](/molmil-images/mine/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
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![BU of 7zdj by Molmil](/molmil-images/mine/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
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![BU of 7z3a by Molmil](/molmil-images/mine/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
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![BU of 4wy4 by Molmil](/molmil-images/mine/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
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![BU of 8cyr by Molmil](/molmil-images/mine/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
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![BU of 1mxv by Molmil](/molmil-images/mine/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
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![BU of 1mxy by Molmil](/molmil-images/mine/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
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![BU of 1mxw by Molmil](/molmil-images/mine/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
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![BU of 2yye by Molmil](/molmil-images/mine/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
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![BU of 1mxx by Molmil](/molmil-images/mine/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
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![BU of 3cur by Molmil](/molmil-images/mine/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
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![BU of 1my0 by Molmil](/molmil-images/mine/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
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![BU of 1mxz by Molmil](/molmil-images/mine/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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![BU of 1n2e by Molmil](/molmil-images/mine/1n2e) | |
5A3R
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![BU of 5a3r by Molmil](/molmil-images/mine/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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![BU of 3cus by Molmil](/molmil-images/mine/3cus) | |