6U4T
 
 | | Carbonic anhydrase 9 in complex with SB4197 | | Descriptor: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-08-26 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.356 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6U5O
 | | Structure of the Human Metapneumovirus Polymerase bound to the phosphoprotein tetramer | | Descriptor: | Phosphoprotein, RNA-directed RNA polymerase L | | Authors: | Pan, J, Qian, X, Lattmann, S, Sahili, A.E, Yeo, T.H, Kalocsay, M, Fearns, R, Lescar, J. | | Deposit date: | 2019-08-28 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of the human metapneumovirus polymerase phosphoprotein complex.
Nature, 577, 2020
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7Q0L
 | | Crystal structure of the peptide transporter YePEPT-K314A at 2.93 A | | Descriptor: | Peptide transporter YePEPT | | Authors: | Jeckelmann, J.M, Stauffer, M, Ilgue, H, Boggavarapu, R, Fotiadis, D. | | Deposit date: | 2021-10-15 | | Release date: | 2022-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor.
Commun Chem, 5, 2022
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6OBA
 | | The beta2 adrenergic receptor bound to a negative allosteric modulator | | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | | Authors: | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | | Deposit date: | 2019-03-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor.
Nat.Chem.Biol., 16, 2020
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6U66
 | | Structure of the trimeric globular domain of Adiponectin | | Descriptor: | Adiponectin, CALCIUM ION, SODIUM ION | | Authors: | Pascolutti, R, Kruse, A.C, Erlandson, S.C, Burri, D.J, Zheng, S. | | Deposit date: | 2019-08-29 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Mapping and engineering the interaction between adiponectin and T-cadherin.
J.Biol.Chem., 295, 2020
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6U6N
 | | Structure of the trimeric globular domain of Adiponectin mutant - D187A Q188A | | Descriptor: | Adiponectin, CHLORIDE ION | | Authors: | Pascolutti, R, Kruse, A.C, Erlandson, S.C, Burri, D.J, Zheng, S. | | Deposit date: | 2019-08-30 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mapping and engineering the interaction between adiponectin and T-cadherin.
J.Biol.Chem., 295, 2020
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6UGQ
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-206 | | Descriptor: | 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.305 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6OFT
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6UDA
 | | Cryo-EM structure of CH235UCA bound to Man5-enriched CH505.N279K.G458Y.SOSIP.664 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CH235 UCA heavy chain Fab, CH235 UCA light chain Fab, ... | | Authors: | Henderson, R, Acharya, P. | | Deposit date: | 2019-09-19 | | Release date: | 2019-10-02 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Neutralization-guided design of HIV-1 envelope trimers with high affinity for the unmutated common ancester of CH235 lineage CD4bs broadly neutralizing antibodies.
Plos Pathog., 15, 2019
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6TV0
 | | Serratia spp. cyanase hydratase | | Descriptor: | Cyanate hydratase, GLYCEROL, OXALIC ACID | | Authors: | Pederzoli, R, Tarantino, D, Gourlay, L.J, Chaves-Sanjuan, A, Bolognesi, M. | | Deposit date: | 2020-01-08 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Detecting the nature and solving the crystal structure of a contaminant protein from an opportunistic pathogen.
Acta Crystallogr.,Sect.F, 76, 2020
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6OI6
 | | Crystal structure of human Sulfide Quinone Oxidoreductase in complex with coenzyme Q (sulfide soaked) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, mitochondrial, ... | | Authors: | Banerjee, R, Cho, U.S, Kim, H, Moon, S. | | Deposit date: | 2019-04-08 | | Release date: | 2020-01-15 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | A Catalytic Trisulfide in Human Sulfide Quinone Oxidoreductase Catalyzes Coenzyme A Persulfide Synthesis and Inhibits Butyrate Oxidation.
Cell Chem Biol, 26, 2019
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6UF1
 | | Pistol ribozyme transition-state analog vanadate | | Descriptor: | MANGANESE (II) ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER) | | Authors: | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | | Deposit date: | 2019-09-23 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
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4GME
 | | Crystal structure of mannonate dehydratase (target EFI-502209) from caulobacter crescentus cb15 complexed with magnesium and d-mannonate | | Descriptor: | CARBONATE ION, CHLORIDE ION, D-MANNONIC ACID, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-08-15 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Mannonate Dehydratase from Caulobacter Crescentus Cb15
To be Published
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6OQ5
 | | Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs | | Descriptor: | 5D, 7F, E3, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2019-04-25 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.87 Å) | | Cite: | Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
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6O96
 | | Dot1L bound to the H2BK120 Ubiquitinated nucleosome | | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Valencia-Sanchez, M.I, De Ioannes, P.E, Miao, W, Vasilyev, N, Chen, R, Nudler, E, Armache, J.-P, Armache, K.-J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural Basis of Dot1L Stimulation by Histone H2B Lysine 120 Ubiquitination.
Mol.Cell, 74, 2019
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6OR0
 | | Crystal structure of Insulin from Non-merohedrally twinned crystals | | Descriptor: | Insulin chain A, Insulin chain B | | Authors: | Sevvana, M, Ruf, M, Uson, I, Sheldrick, G.M, Herbst-Irmer, R. | | Deposit date: | 2019-04-29 | | Release date: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Non-merohedral twinning: from minerals to proteins.
Acta Crystallogr D Struct Biol, 75, 2019
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4G2P
 | | Crystal structure of peptidyl-prolyl cis-trans isomerase domain II of molecular chaperone SurA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S | | Descriptor: | Chaperone SurA, GLYCEROL, SULFATE ION | | Authors: | Chang, C, Wu, R, Adkins, J.N, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | | Deposit date: | 2012-07-12 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of peptidyl-prolyl cis-trans isomerase domain II of molecular chaperone SurA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S
TO BE PUBLISHED
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6OTK
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6OTQ
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6UAP
 | | Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound | | Descriptor: | (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-09-11 | | Release date: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (2.745 Å) | | Cite: | Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound
To be Published
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6OUH
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3RMT
 | | Crystal structure of putative 5-enolpyruvoylshikimate-3-phosphate synthase from Bacillus halodurans C-125 | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase 1, SULFATE ION | | Authors: | Malashkevich, V.N, Toro, R, Seidel, R, Ramagopal, U, Zencheck, W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-04-21 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of putative 5-enolpyruvoylshikimate-3-phosphate synthase from Bacillus halodurans C-125
To be Published
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7Q4I
 | | Crystal structure of DmC1GalT1 in complex with UDP-Mn2+ and the APD-TGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1, ... | | Authors: | Gonzalez-Ramirez, A.M, Coelho, H, Companon, I, Grosso, A.S, Yang, Z, Narimatsu, Y, Clausen, H, Marcelo, F, Corzana, F, Hurtado-Guerrero, R. | | Deposit date: | 2021-10-31 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the synthesis of the core 1 structure by C1GalT1.
Nat Commun, 13, 2022
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6U5E
 | | RT XFEL structure of CypA solved using celloluse carrier media | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Wolff, A.M, Nango, E, Nakane, T, Young, I.D, Brewster, A.S, Sugahara, M, Tanaka, R, Sauter, N.K, Tono, K, Iwata, S, Fraser, J.S, Thompson, M.C. | | Deposit date: | 2019-08-27 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020
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7PWY
 | | Structure of human dimeric ACMSD in complex with the inhibitor TES-1025 | | Descriptor: | 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid, 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, POTASSIUM ION, ... | | Authors: | Cianci, M, Giacche, N, Carotti, A, Liscio, P, Amici, A, Cialabrini, L, De Franco, F, Pellicciari, R, Raffaelli, N. | | Deposit date: | 2021-10-07 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of Human Dimeric alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Inhibition With TES-1025.
Front Mol Biosci, 9, 2022
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