5T0P
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![BU of 5t0p by Molmil](/molmil-images/mine/5t0p) | c-Src kinase domain in complex with Rao-IV-151 | Descriptor: | (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Dieter, E.M, Merritt, E.A, Maly, D.J. | Deposit date: | 2016-08-16 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A chemical genetic method for conformation-selective kinase inhibition To Be Published
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3JBD
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![BU of 3jbd by Molmil](/molmil-images/mine/3jbd) | Complex of poliovirus with VHH PVSP6A | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Strauss, M, Schotte, L, Thys, B, Filman, D.J, Hogle, J.M. | Deposit date: | 2015-08-26 | Release date: | 2016-01-27 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Five of Five VHHs Neutralizing Poliovirus Bind the Receptor-Binding Site. J.Virol., 90, 2016
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3K94
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![BU of 3k94 by Molmil](/molmil-images/mine/3k94) | Crystal Structure of Thiamin pyrophosphokinase from Geobacillus thermodenitrificans, Northeast Structural Genomics Consortium Target GtR2 | Descriptor: | Thiamin pyrophosphokinase | Authors: | Kuzin, A, Su, M, Seetharaman, J, Janjua, J, Xiao, R, Patel, D.J, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-10-15 | Release date: | 2010-02-09 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Northeast Structural Genomics Consortium Target GtR2 To be Published
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7R15
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![BU of 7r15 by Molmil](/molmil-images/mine/7r15) | Alpha Variant SARS-CoV-2 Spike with 2 Erect RBDs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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7RN3
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![BU of 7rn3 by Molmil](/molmil-images/mine/7rn3) | hyen D solution structure | Descriptor: | Cyclotide hyen-D | Authors: | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | Deposit date: | 2021-07-29 | Release date: | 2022-03-02 | Last modified: | 2022-12-07 | Method: | SOLUTION NMR | Cite: | Mutagenesis of bracelet cyclotide hyen D reveals functionally and structurally critical residues for membrane binding and cytotoxicity. J.Biol.Chem., 298, 2022
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1M04
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![BU of 1m04 by Molmil](/molmil-images/mine/1m04) | Mutant Streptomyces plicatus beta-hexosaminidase (D313N) in complex with product (GlcNAc) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | Authors: | Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G. | Deposit date: | 2002-06-11 | Release date: | 2002-12-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical
role in substrate-assisted catalysis by orienting the 2-acetamido group
and stabilizing the transition state. J.Biol.Chem., 277, 2002
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7R10
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![BU of 7r10 by Molmil](/molmil-images/mine/7r10) | Dissociated S1 domain of Alpha Variant SARS-CoV-2 Spike bound to ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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5BNX
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![BU of 5bnx by Molmil](/molmil-images/mine/5bnx) | |
7R1A
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![BU of 7r1a by Molmil](/molmil-images/mine/7r1a) | Furin Cleaved Alpha Variant SARS-CoV-2 Spike in complex with 3 ACE2 | 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: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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1M6B
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![BU of 1m6b by Molmil](/molmil-images/mine/1m6b) | Structure of the HER3 (ERBB3) Extracellular Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor protein-tyrosine kinase erbB-3, ... | Authors: | Leahy, D.J, Cho, H.-S. | Deposit date: | 2002-07-15 | Release date: | 2002-08-02 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the extracellular region of HER3 reveals an interdomain tether. Science, 297, 2002
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7R17
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![BU of 7r17 by Molmil](/molmil-images/mine/7r17) | Beta Variant SARS-CoV-2 Spike with 2 Erect RBDs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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1M7V
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![BU of 1m7v by Molmil](/molmil-images/mine/1m7v) | STRUCTURE OF A NITRIC OXIDE SYNTHASE HEME PROTEIN FROM BACILLUS SUBTILIS WITH TETRAHYDROFOLATE AND ARGININE BOUND | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, ARGININE, Nitric Oxide Synthase, ... | Authors: | Pant, K, Bilwes, A.M, Adak, S, Stuehr, D.J, Crane, B.R. | Deposit date: | 2002-07-22 | Release date: | 2002-10-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of a nitric oxide synthase heme protein from Bacillus subtilis. Biochemistry, 41, 2002
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7R18
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![BU of 7r18 by Molmil](/molmil-images/mine/7r18) | Mink Variant SARS-CoV-2 Spike in Closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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6PFB
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![BU of 6pfb by Molmil](/molmil-images/mine/6pfb) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid. | Descriptor: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.089 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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7R12
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![BU of 7r12 by Molmil](/molmil-images/mine/7r12) | Dissociated S1 domain of Mink Variant SARS-CoV-2 Spike bound to ACE2 (Non-Uniform Refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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5TLM
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![BU of 5tlm by Molmil](/molmil-images/mine/5tlm) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4',4''-(thiophene-2,3,5-triyl)triphenol | Descriptor: | 4,4',4''-(thiene-2,3,5-triyl)triphenol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-11 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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7R11
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![BU of 7r11 by Molmil](/molmil-images/mine/7r11) | Dissociated S1 domain of Beta Variant SARS-CoV-2 Spike bound to ACE2 (Non-Uniform Refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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7R14
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![BU of 7r14 by Molmil](/molmil-images/mine/7r14) | Alpha Variant SARS-CoV-2 Spike with 1 Erect RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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5TLV
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![BU of 5tlv by Molmil](/molmil-images/mine/5tlv) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(thiophene-2,3-diyl)bis(3-fluorophenol) | Descriptor: | 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol), Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-12 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.323 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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7R1B
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![BU of 7r1b by Molmil](/molmil-images/mine/7r1b) | Mink Variant SARS-CoV-2 Spike with 1 Erect RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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7R16
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![BU of 7r16 by Molmil](/molmil-images/mine/7r16) | Beta Variant SARS-CoV-2 Spike with 1 Erect RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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5TM4
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![BU of 5tm4 by Molmil](/molmil-images/mine/5tm4) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, 5-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid | Descriptor: | 5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-12 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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7R13
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![BU of 7r13 by Molmil](/molmil-images/mine/7r13) | Alpha Variant SARS-CoV-2 Spike in Closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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5TLF
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![BU of 5tlf by Molmil](/molmil-images/mine/5tlf) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Constrained WAY Derivative, 4-(2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl)benzene-1,3-diol | Descriptor: | 4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-11 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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7R19
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![BU of 7r19 by Molmil](/molmil-images/mine/7r19) | Mink Variant SARS-CoV-2 Spike with 2 Erect RBDs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Gamblin, S.J. | Deposit date: | 2022-02-02 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Evolution of the SARS-CoV-2 spike protein in the human host. Nat Commun, 13, 2022
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