6QCB
| Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 9 | Descriptor: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin D, ... | Authors: | Brynda, J, Houstecka, R, Majer, P, Mares, M. | Deposit date: | 2018-12-27 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
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6VTX
| Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*GP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*CP*AP*CP*CP*CP*CP*CP*T)-3'), Krueppel-like factor 4, ... | Authors: | Sharma, R, Sharma, S, Choi, K.J, Ferreon, A.C.M, Ferreon, J.C, Sankaran, B, MacKenzie, K.R, Kim, C. | Deposit date: | 2020-02-13 | Release date: | 2021-09-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization. Nat Commun, 12, 2021
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6QIQ
| Crystal structure of seleno-derivative CAG repeats with synthetic CMBL3a compound | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*G)-D(P*(CSL))-R(P*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Micura, R, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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3Q64
| X-ray crystal structure of protein mll3774 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR405. | Descriptor: | Mll3774 protein | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Wang, D, Ciccosanti, C, Sahdev, S, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-12-30 | Release date: | 2011-01-12 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray crystal structure of protein mll3774 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR405. To be Published
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6WCF
| Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 3 | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-30 | Release date: | 2020-04-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.065 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
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6QLC
| The ssDNA-binding RNA polymerase cofactor Drc from Pseudomonas phage LUZ7 | Descriptor: | PHOSPHATE ION, ssDNA binding RNA Polymerase cofactor | Authors: | De Zitter, E, Boon, M, De Smet, J, Lavigne, R, Van Meervelt, L. | Deposit date: | 2019-01-31 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 'Drc', a structurally novel ssDNA-binding transcription regulator of N4-related bacterial viruses. Nucleic Acids Res., 48, 2020
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2O4H
| Human brain aspartoacylase complex with intermediate analog (N-phosphonomethyl-L-aspartate) | Descriptor: | Aspartoacylase, N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPARTIC ACID, ZINC ION | Authors: | Le Coq, J, Pavlovsky, A, Sanishvili, R, Viola, R.E. | Deposit date: | 2006-12-04 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Examination of the Mechanism of Human Brain Aspartoacylase through the Binding of an Intermediate Analogue. Biochemistry, 47, 2008
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6Q52
| Structure of a psychrophilic CCA-adding enzyme in complex with CMPcPP at room temperature in ChipX microfluidic device | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CCA-adding enzyme | Authors: | de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C. | Deposit date: | 2018-12-06 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
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6WIV
| Structure of human GABA(B) receptor in an inactive state | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R. | Deposit date: | 2020-04-10 | Release date: | 2020-07-01 | Last modified: | 2020-08-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of human GABABreceptor in an inactive state. Nature, 584, 2020
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6WBX
| Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 1 | Descriptor: | CALCIUM ION, DUF3367 domain-containing protein | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-27 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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2OA5
| Crystal structure of ORF52 from Murid herpesvirus (MUHV-4) (Murine gammaherpesvirus 68) at 2.1 A resolution. Northeast Structural Genomics Consortium target MHR28B. | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Hypothetical protein BQLF2 | Authors: | Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-12-14 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus 68. J.Biol.Chem., 282, 2007
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6VTH
| p53-specific T cell receptor | Descriptor: | SULFATE ION, T-cell Receptor 12-6, Alfa chain, ... | Authors: | Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A. | Deposit date: | 2020-02-12 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen. Nat Commun, 11, 2020
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6VLN
| Crystal structure of 4498 Fab in complex with circumsporozoite protein DND3 and anti-Kappa VHH domain | Descriptor: | 4498 Fab heavy chain, 4498 Fab light chain, Circumsporozoite protein, ... | Authors: | Thai, E, Scally, S.W, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2020-01-24 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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6QID
| Crystal structure of DEAH-box ATPase Prp43-S387A | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Hamann, F, Ficner, R, Enders, M. | Deposit date: | 2019-01-18 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Structural basis for RNA translocation by DEAH-box ATPases. Nucleic Acids Res., 47, 2019
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6W2D
| Structures of Capsid and Capsid-Associated Tegument Complex inside the Epstein-Barr Virus | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | Authors: | Liu, W, Cui, Y.X, Wang, C.Y, Li, Z.H, Gong, D.Y, Dai, X.H, Bi, G.Q, Sun, R, Zhou, Z.H. | Deposit date: | 2020-03-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of capsid and capsid-associated tegument complex inside the Epstein-Barr virus. Nat Microbiol, 5, 2020
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6VP9
| Cryo-EM structure of human NatB complex | Descriptor: | CARBOXYMETHYL COENZYME *A, MDVFM peptide, N-alpha-acetyltransferase 20, ... | Authors: | Deng, S, Marmorstein, R. | Deposit date: | 2020-02-02 | Release date: | 2020-09-23 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Molecular basis for N-terminal alpha-synuclein acetylation by human NatB. Elife, 9, 2020
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6VSJ
| Cryo-electron microscopy structure of mouse coronavirus spike protein complexed with its murine receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, Spike glycoprotein | Authors: | Shang, J, Wan, Y.S, Liu, C, Yount, B, Gully, K, Yang, Y, Auerbach, A, Peng, G.Q, Baric, R, Li, F. | Deposit date: | 2020-02-11 | Release date: | 2020-03-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Structure of mouse coronavirus spike protein complexed with receptor reveals mechanism for viral entry. Plos Pathog., 16, 2020
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6QEN
| Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC240 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ... | Authors: | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | Deposit date: | 2019-01-08 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.195 Å) | Cite: | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling. Acs Chem.Biol., 15, 2020
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3Q6A
| X-ray crystal structure of the protein SSP2350 from Staphylococcus saprophyticus, Northeast structural genomics consortium target SyR116 | Descriptor: | uncharacterized protein | Authors: | Seetharaman, J, Chen, Y, Wang, D, Ciccosanti, C, Sahdev, S, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-12-31 | Release date: | 2011-04-06 | Last modified: | 2012-02-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of the protein SSP2350 from Staphylococcus saprophyticus, Northeast structural genomics consortium target SyR116 To be Published
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6QFI
| Structure of human Mcl-1 in complex with BIM BH3 peptide | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QK4
| Lytic transglycosylase, LtgG, of Burkholderia pseudomallei. | Descriptor: | Membrane-bound lytic murein transglycosylase A | Authors: | Jenkins, C.H, Wallis, R, Allcock, N, Barnes, K.B, Richards, M.I, Auty, J.M, Galyov, E.E, Harding, S.V, Mukamolova, G.V. | Deposit date: | 2019-01-28 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The lytic transglycosylase, LtgG, controls cell morphology and virulence in Burkholderia pseudomallei. Sci Rep, 9, 2019
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4E0W
| Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with kainate | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, Glutamate receptor, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2012-03-05 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3501 Å) | Cite: | Kainate induces various domain closures in AMPA and kainate receptors. Neurochem Int, 61, 2012
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6QFQ
| Structure of human Mcl-1 in complex with indole acid inhibitor | Descriptor: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6VK7
| Crystal Structure of reduced Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase | Descriptor: | FE (III) ION, Methane monooxygenase, Methane monooxygenase component A alpha chain | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2020-01-18 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel. Biochemistry, 59, 2020
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4IEC
| Cys105 covalent modification by 2-hydroxyethyl disulfide in Mycobacterium tuberculosis methionine aminopeptidase Type 1c | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 2, POTASSIUM ION | Authors: | Reddi, R, Gumpena, R, Kishor, C, Addlagatta, A. | Deposit date: | 2012-12-13 | Release date: | 2013-12-18 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents Febs J., 281, 2014
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