6DES
 
 | | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone | | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Garcia, M.D, Guddat, L.W. | | Deposit date: | 2018-05-12 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2O2V
 | | Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox) | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 3 | | Authors: | Filippakopoulos, P, Savitsky, P, Ugochukwu, E, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-30 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal Structure of the Complex of Human Mitogen Activated Protein Kinase Kinase 5 Phox Domain (MAP2K5-phox) with Human Mitogen Activated Protein Kinase Kinase Kinase 3 (MAP3K3B-phox)
To be Published
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2O3D
 | | Structure of human SF2/ASF RNA recognition motif 2 (RRM2) | | Descriptor: | Splicing factor, arginine/serine-rich 1 | | Authors: | Tintaru, A.M, Hautbergue, G.M, Hounslow, A.M, Lian, L.Y, Craven, C.J, Wilson, S.A. | | Deposit date: | 2006-12-01 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structural and functional analysis of RNA and TAP binding to SF2/ASF.
Embo Rep., 8, 2007
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7CU5
 | | N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab | | Descriptor: | 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, Programmed cell death protein 1, ... | | Authors: | Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F. | | Deposit date: | 2020-08-21 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | N-glycosylation of PD-1 promotes binding of camrelizumab.
Embo Rep., 21, 2020
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6DIM
 | | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-23 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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2NTH
 | | Structure of Spin-labeled T4 Lysozyme Mutant L118R1 | | Descriptor: | Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | | Deposit date: | 2006-11-07 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
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5I20
 | | Crystal structure of protein | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, SULFATE ION, Uncharacterized protein | | Authors: | Ishitani, R, Nureki, O. | | Deposit date: | 2016-02-08 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for amino acid export by DMT superfamily transporter YddG.
Nature, 534, 2016
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7CIK
 | | Structure of the 58-213 fragment of FliF | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Flagellar M-ring protein | | Authors: | Takekawa, T, Sakuma, M, Kojima, S, Homma, M, Imada, K. | | Deposit date: | 2020-07-07 | | Release date: | 2021-02-17 | | Last modified: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Two Distinct Conformations in 34 FliF Subunits Generate Three Different Symmetries within the Flagellar MS-Ring.
Mbio, 12, 2021
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7CEE
 | | Crystal structure of mouse neuroligin-3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-3 | | Authors: | Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S. | | Deposit date: | 2020-06-23 | | Release date: | 2021-02-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.763 Å) | | Cite: | Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
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6DQB
 | | LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | | Descriptor: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2018-06-10 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.791 Å) | | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
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7CEG
 | | Crystal structure of the complex between mouse PTP delta and neuroligin-3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform C of Receptor-type tyrosine-protein phosphatase delta, Neuroligin-3 | | Authors: | Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S. | | Deposit date: | 2020-06-23 | | Release date: | 2021-02-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.85 Å) | | Cite: | Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
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6DCQ
 | | Ectodomain of full length, wild type HIV-1 glycoprotein clone PC64M18C043 in complex with PGT151 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rantalainen, K. | | Deposit date: | 2018-05-08 | | Release date: | 2018-06-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Co-evolution of HIV Envelope and Apex-Targeting Neutralizing Antibody Lineage Provides Benchmarks for Vaccine Design.
Cell Rep, 23, 2018
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5IW6
 | | anti-CD20 monoclonal antibody Fc fragment | | Descriptor: | Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Tang, C, Chen, Z. | | Deposit date: | 2016-03-22 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure of anti-CD20 monoclonal antibody Fc fragment at 2.34 Angstroms resolution
To Be Published
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2NY3
 | | HIV-1 gp120 Envelope Glycoprotein (K231C, T257S, E267C, S334A, S375W) Complexed with CD4 and Antibody 17b | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | | Deposit date: | 2006-11-20 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
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2O0A
 | | The structure of the C-terminal domain of Vik1 has a motor domain fold but lacks a nucleotide-binding site. | | Descriptor: | 1,2-ETHANEDIOL, S.cerevisiae chromosome XVI reading frame ORF YPL253c | | Authors: | Allingham, J.S, Sproul, L.R, Rayment, I, Gilbert, S.P. | | Deposit date: | 2006-11-27 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Vik1 modulates microtubule-Kar3 interactions through a motor domain that lacks an active site.
Cell(Cambridge,Mass.), 128, 2007
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6CDI
 | | Cryo-EM structure at 3.6 A resolution of vaccine-elicited antibody vFP16.02 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ... | | Authors: | Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D. | | Deposit date: | 2018-02-08 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
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6CB0
 | | Crystal Structure of the FAK FERM domain | | Descriptor: | Focal adhesion kinase 1 | | Authors: | Dementiev, A, Marlowe, T. | | Deposit date: | 2018-02-01 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | High resolution crystal structure of the FAK FERM domain reveals new insights on the Druggability of tyrosine 397 and the Src SH3 binding site.
BMC Mol Cell Biol, 20, 2019
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5IVY
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2NTF
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5IWJ
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2NV4
 | | Crystal structure of UPF0066 protein AF0241 in complex with S-adenosylmethionine. Northeast Structural Genomics Consortium target GR27 | | Descriptor: | ACETATE ION, S-ADENOSYLMETHIONINE, UPF0066 protein AF_0241 | | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Vorobiev, S.M, Fang, Y, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-10 | | Release date: | 2006-11-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Functional insights from structural genomics.
J.Struct.Funct.Genom., 8, 2007
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5J1W
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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5J3W
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5GVC
 | | Human Topoisomerase IIIb topo domain | | Descriptor: | DNA topoisomerase 3-beta-1, MAGNESIUM ION | | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S. | | Deposit date: | 2016-09-05 | | Release date: | 2017-06-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.436 Å) | | Cite: | Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor
Sci Rep, 7, 2017
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2L5N
 | | NMR Structure of YbbR family protein Dhaf_0833 (residues 32-118) from Desulfitobacterium hafniense DCB-2: Northeast Structural Genomics Consortium target DhR29B | | Descriptor: | YbbR family protein | | Authors: | Cort, J.R, Barb, A.W, Lee, H, Ramelot, T.A, Yang, Y, Belote, R.L, Ciccosanti, C.R, Haleema, J, Acton, T.B, Xiao, R.R, Everett, J.K, Montelione, G.T, Prestegard, J.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-11-02 | | Release date: | 2010-12-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structures of domains I and IV from YbbR are representative of a widely distributed protein family.
Protein Sci., 20, 2011
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