6IGL
 
 | | Crystal Structure of human ETB receptor in complex with IRL1620 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Endothelin receptor type B,Endolysin,Endothelin receptor type B, ... | | Authors: | Shihoya, W, Izume, T, Inoue, A, Yamashita, K, kadji, F.M.N, Hirata, K, Aoki, J, Nishizawa, T, Nureki, O. | | Deposit date: | 2018-09-25 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of human ETBreceptor provide mechanistic insight into receptor activation and partial activation.
Nat Commun, 9, 2018
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7RY6
 | | Solution NMR structural bundle of the first cyclization domain from yersiniabactin synthetase (Cy1) impacted by dynamics | | Descriptor: | HMWP2 nonribosomal peptide synthetase | | Authors: | Kancherla, A.K, Mishra, S.H, Marincin, K.A, Nerli, S, Sgourakis, N.G, Dowling, D.P, Bouvignies, G, Frueh, D.P. | | Deposit date: | 2021-08-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Global protein dynamics as communication sensors in peptide synthetase domains.
Sci Adv, 8, 2022
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2I3R
 | | Engineered catalytic domain of protein tyrosine phosphatase HPTPbeta | | Descriptor: | CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta | | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | | Deposit date: | 2006-08-20 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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6W7F
 | | Structure of EED bound to inhibitor 5285 | | Descriptor: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2020-03-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
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3X2O
 | | Neutron and X-ray joint refined structure of PcCel45A apo form at 298K. | | Descriptor: | Endoglucanase V-like protein | | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | | Deposit date: | 2014-12-22 | | Release date: | 2015-10-07 | | Last modified: | 2019-12-18 | | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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3X2Y
 | | Crystal structure of metallo-beta-lactamase H8A from Thermotoga maritima | | Descriptor: | NICKEL (II) ION, UPF0173 metal-dependent hydrolase TM_1162 | | Authors: | Choi, H.J, Kim, H.J, Matsuura, A, Mikami, B, Yoon, H.J, Lee, H.H. | | Deposit date: | 2015-01-07 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Crystal structure of metallo-beta-lactamase H8A from Thermotoga maritima
To be Published
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7SR9
 | | Human alpha-thrombin with 180- and 220- loops replaced with homologous loops from protein C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Di Cera, E, Ruben, E.A, Chen, Z. | | Deposit date: | 2021-11-08 | | Release date: | 2021-12-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The active site region plays a critical role in Na + binding to thrombin.
J.Biol.Chem., 298, 2022
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2I80
 | | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies | | Descriptor: | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, D-alanine-D-alanine ligase | | Authors: | Liu, S, Chang, J.S, Herberg, J.T, Horng, M.-M, Tomich, P.K, Lin, A.H, Marotti, K.R. | | Deposit date: | 2006-08-31 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2HZG
 | | Crystal structure of predicted Mandelate racemase from Rhodobacter sphaeroides | | Descriptor: | GLYCEROL, Mandelate racemase/muconate lactonizing enzyme/Enolase superfamily, SODIUM ION | | Authors: | Ramagopal, U.A, Toro, R, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-08-08 | | Release date: | 2006-08-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystal structure of predicted Mandelate racemase from Rhodobacter sphaeroides
To be Published
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5KAE
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4QTG
 | | CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE | | Descriptor: | 5-CARBOXYVANILLATE DECARBOXYLASE, GLYCEROL, MANGANESE (II) ION | | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-07-07 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 from Novosphingobium Aromaticivorans
To be Published
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5KCA
 | | Crystal structure of the Cbln1 C1q domain trimer in complex with the amino-terminal domain (ATD) of iGluR Delta-2 (GluD2) | | Descriptor: | CALCIUM ION, Cerebellin-1,Cerebellin-1,Cerebellin-1,Glutamate receptor ionotropic, delta-2 | | Authors: | Elegheert, J, Aricescu, A.R. | | Deposit date: | 2016-06-05 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
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3X29
 | | CRYSTAL STRUCTURE of MOUSE CLAUDIN-19 IN COMPLEX with C-TERMINAL FRAGMENT OF CLOSTRIDIUM PERFRINGENS ENTEROTOXIN | | Descriptor: | Claudin-19, Heat-labile enterotoxin B chain | | Authors: | Saitoh, Y, Suzuki, H, Tani, K, Nishikawa, K, Irie, K, Ogura, Y, Tamura, A, Tsukita, S, Fujiyoshi, Y. | | Deposit date: | 2014-12-13 | | Release date: | 2015-01-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural insight into tight junction disassembly by Clostridium perfringens enterotoxin
Science, 347, 2015
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3X2P
 | | Neutron and X-ray joint refined structure of PcCel45A with cellopentaose at 298K. | | Descriptor: | Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | | Deposit date: | 2014-12-22 | | Release date: | 2015-10-14 | | Last modified: | 2020-07-29 | | Method: | NEUTRON DIFFRACTION (1.518 Å), X-RAY DIFFRACTION | | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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4QU5
 | | Caspase-3 T140V | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.908 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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3E7U
 | | X-ray Crystal Structure of L-Plectasin | | Descriptor: | Plectasin | | Authors: | Mandal, K, Pentelute, B.L, Tereshko, V, Kossiakoff, A.A, Kent, S.B.H. | | Deposit date: | 2008-08-18 | | Release date: | 2009-06-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Racemic crystallography of synthetic protein enantiomers used to determine the X-ray structure of plectasin by direct methods
Protein Sci., 18, 2009
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2I4E
 | | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | | Descriptor: | Receptor-type tyrosine-protein phosphatase beta, VANADATE ION | | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | | Deposit date: | 2006-08-21 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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7SXT
 | | Cryo-EM structure of the SARS-CoV-2 D614G,N501Y mutant spike protein ectodomain | | 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: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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2I6D
 | | The structure of a putative RNA methyltransferase of the TrmH family from Porphyromonas gingivalis. | | Descriptor: | ACETIC ACID, RNA methyltransferase, TrmH family | | Authors: | Cuff, M.E, Mussar, K.E, Li, H, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-08-28 | | Release date: | 2006-10-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The structure of a putative RNA methyltransferase of the TrmH family from Porphyromonas gingivalis.
TO BE PUBLISHED
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7SY7
 | | Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417T mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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1SW0
 | | Triosephosphate isomerase from Gallus gallus, loop 6 hinge mutant K174L, T175W | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | | Deposit date: | 2004-03-30 | | Release date: | 2004-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
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7SXS
 | | Cryo-EM structure of the SARS-CoV-2 D614G,L452R mutant spike protein ectodomain | | 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: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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2I6O
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7SY5
 | | Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K,K417N mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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7SY3
 | | Cryo-EM structure of the SARS-CoV-2 D614G,N501Y,E484K mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S. | | Deposit date: | 2021-11-24 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
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