6WCU
 
 | | Crystal structure of coiled coil region of human septin 5 | | Descriptor: | Septin-5 | | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2020-03-31 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
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6O9E
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1 | | Descriptor: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ruiz, F.X, Hoang, A, Das, K, Arnold, E. | | Deposit date: | 2019-03-13 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1.
J.Med.Chem., 62, 2019
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6MCJ
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6O9O
 | | Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1 | | Descriptor: | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | Authors: | Elkins, P.A, Wang, L. | | Deposit date: | 2019-03-14 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.586 Å) | | Cite: | Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors
To be published
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6UME
 | | Crystal structure of human GAC in complex with inhibitor UPGL00012 | | Descriptor: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-09 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
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8DVN
 | | Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.10 | | 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: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
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8BN1
 | | The structures of Ace2 in complex with bicyclic peptide inhibitor | | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-4PH-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2, ... | | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | | Deposit date: | 2022-11-11 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
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6ME1
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8E95
 | | Mycobacterium tuberculosis RNAP elongation complex | | Descriptor: | DNA (25-MER), DNA (33-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Delbeau, M, Darst, S.A, Campbell, E.A. | | Deposit date: | 2022-08-26 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis.
Mol.Cell, 83, 2023
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8B9P
 | | ACE2 in complex with bicyclic peptide inhibitor | | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-GLY-ARG-GLN-PHE-CYS-HIS-THR-LEU-MET-PRO-ARG-HIS-LEU-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | | Deposit date: | 2022-10-06 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
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8BJC
 | | Full length structure of the apo-state LpMIP. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | Deposit date: | 2022-11-03 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
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6WY8
 | | Tcur3481-Tcur3483 steroid ACAD | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acyl-CoA dehydrogenase domain protein Tcur3481, Acyl-CoA dehydrogenase domain protein Tcur3483, ... | | Authors: | Kimber, M.S, Stirling, A.J, Seah, S.Y.K. | | Deposit date: | 2020-05-12 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity.
Biochemistry, 59, 2020
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6OEB
 | | Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | | Authors: | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
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8BJ5
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8BK1
 | | Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, M206S, A213P, D238G, I240L | | Descriptor: | Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, ... | | Authors: | Gilio, A.K, Grogan, G.J. | | Deposit date: | 2022-11-08 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor
Acs Catalysis, 13, 2023
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8BRE
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7RSA
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8B4R
 | | Antimicrobial peptide capitellacin from polychaeta Capitella teleta in DPC (dodecylphosphocholine) micelles, monomeric form | | Descriptor: | BRICHOS domain-containing protein | | Authors: | Mironov, P.A, Reznikova, O.V, Paramonov, A.S, Shenkarev, Z.O. | | Deposit date: | 2022-09-21 | | Release date: | 2023-10-04 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Dimerization of the beta-Hairpin Membrane-Active Cationic Antimicrobial Peptide Capitellacin from Marine Polychaeta: An NMR Structural and Thermodynamic Study.
Biomolecules, 14, 2024
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6O7U
 | | Saccharomyces cerevisiae V-ATPase Stv1-VO | | Descriptor: | Putative protein YPR170W-B, V-type proton ATPase subunit a, Golgi isoform, ... | | Authors: | Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L. | | Deposit date: | 2019-03-08 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6ZUP
 | | Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-(-)-3-phenyllactic acid | | Descriptor: | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID, Aminotransferase, MAGNESIUM ION, ... | | Authors: | Bujacz, A, Rum, J, Rutkiewicz, M, Pietrzyk-Brzezinska, A.J, Bujacz, G. | | Deposit date: | 2020-07-23 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Materials (Basel), 14, 2021
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6WPZ
 | | The structure of Pf4r from a superinfective isolate of the filamentous phage Pf4 of Pseudomonas aeruginosa PA01 | | Descriptor: | CHLORIDE ION, Pf4r | | Authors: | Michie, K.A, Norrian, P, Duggin, I.G, McDougald, D, Rice, S.A. | | Deposit date: | 2020-04-28 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | The Repressor C Protein, Pf4r, Controls Superinfection of Pseudomonas aeruginosa PAO1 by the Pf4 Filamentous Phage and Regulates Host Gene Expression.
Viruses, 13, 2021
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6ZUR
 | | Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-p-hydroxyphenyllactic acid | | Descriptor: | (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid, Aminotransferase, MAGNESIUM ION, ... | | Authors: | Bujacz, A, Rum, J, Rutkiewicz, M, Pietrzyk-Brzezinska, A.J, Bujacz, G. | | Deposit date: | 2020-07-23 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Materials (Basel), 14, 2021
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6ZQR
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6ZR3
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6UMD
 | | Crystal structure of human GAC in complex with inhibitor UPGL00012 | | Descriptor: | 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-09 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
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