1UAP
 
 | | NMR structure of the NTR domain from human PCOLCE1 | | Descriptor: | Procollagen C-proteinase enhancer protein | | Authors: | Liepinsh, E, Banyai, L, Pintacuda, G, Trexler, M, Patthy, L, Otting, G. | | Deposit date: | 2003-03-14 | | Release date: | 2003-07-15 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of the Netrin-like Domain (NTR) of Human Type I Procollagen C-Proteinase Enhancer Defines Structural Consensus of NTR Domains and Assesses Potential Proteinase Inhibitory Activity and Ligand Binding.
J.Biol.Chem., 278, 2003
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3IMY
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1BUE
 | | NMC-A CARBAPENEMASE FROM ENTEROBACTER CLOACAE | | Descriptor: | PROTEIN (IMIPENEM-HYDROLYSING BETA-LACTAMASE) | | Authors: | Swaren, P, Maveyraud, L, Cabantous, S, Pedelacq, J.D, Mourey, L, Frere, J.M, Samama, J.P. | | Deposit date: | 1998-09-03 | | Release date: | 1999-09-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | X-ray analysis of the NMC-A beta-lactamase at 1.64-A resolution, a class A carbapenemase with broad substrate specificity.
J.Biol.Chem., 273, 1998
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8ASN
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8ARJ
 | | Anaplastic Lymphoma Kinase with a novel carboline inhibitor | | Descriptor: | 3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one, ALK tyrosine kinase receptor | | Authors: | Mologni, L, Scapozza, L, Gambacorti-Passerini, C, Tardy, S, Goekjian, P, Robinson, C, Brown, D. | | Deposit date: | 2022-08-17 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.645 Å) | | Cite: | Discovery of Novel alpha-Carboline Inhibitors of the Anaplastic Lymphoma Kinase.
Acs Omega, 7, 2022
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8AXZ
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid. | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, ADENOSINE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-09-01 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.154 Å) | | Cite: | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid.
To Be Published
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5CBE
 | | E10 in complex with CXCL13 | | Descriptor: | 1,2-ETHANEDIOL, C-X-C motif chemokine 13, E10 heavy chain, ... | | Authors: | Tu, C, Bard, J, Mosyak, L. | | Deposit date: | 2015-06-30 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv).
J. Biol. Chem., 291, 2016
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5C1Y
 | | Crystal structure of EV71 3C Proteinase in complex with Compound 1 | | Descriptor: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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8JPX
 | | Cryo-EM structure of PfAgo-guide DNA-target DNA complex | | Descriptor: | Excess DNA, Guide DNA, MAGNESIUM ION, ... | | Authors: | Zhuang, L. | | Deposit date: | 2023-06-13 | | Release date: | 2024-01-31 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
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8K0X
 | | ABCG25 Wild Type purified with DDM in the ABA-bound state | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | | Authors: | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | | Deposit date: | 2023-07-10 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | ABCG25 Wild Type purified with DDM in the ABA-bound state
To Be Published
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8GQU
 | | AK-42 inhibitor binding human ClC-2 TMD | | Descriptor: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, Chloride channel protein 2 | | Authors: | Wang, L. | | Deposit date: | 2022-08-30 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42.
Nat Commun, 14, 2023
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8K0Z
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8G4M
 | | Vaccine-elicited human antibody 2C06 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Wang, S, Morano, N.C, Shapiro, L, Kwong, P.D. | | Deposit date: | 2023-02-10 | | Release date: | 2023-07-12 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide.
Cell Rep, 42, 2023
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7OB2
 | | NMR structure of the antimicrobial RiLK1 peptide in SDS micelles | | Descriptor: | RiLK1 | | Authors: | Falcigno, L, D'Auria, G, Palmieri, G, Gogliettino, M, Agrillo, B. | | Deposit date: | 2021-04-20 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Key Physicochemical Determinants in the Antimicrobial Peptide RiLK1 Promote Amphipathic Structures.
Int J Mol Sci, 22, 2021
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8SJK
 | | Pembrolizumab Caffeine crystal | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY HEAVY CHAIN, ANTIBODY LIGHT CHAIN, ... | | Authors: | Larpent, P, Codan, L, Bothe, J.R, Stueber, D, Reichert, P, Fischmann, T, Su, Y, Pabit, S, Gupta, S, Iuzzolino, L, Cote, A. | | Deposit date: | 2023-04-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Small-Angle X-ray Scattering as a Powerful Tool for Phase and Crystallinity Assessment of Monoclonal Antibody Crystallites in Support of Batch Crystallization.
Mol Pharm., 2024
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3FIA
 | | Crystal structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e. | | Descriptor: | CALCIUM ION, Intersectin-1, SULFATE ION | | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Devices, C, Zhao, L, Foote, E.L, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-12-11 | | Release date: | 2008-12-30 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of the EH 1 domain from human intersectin-1 protein.
To be Published
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5MG2
 | | Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe | | Descriptor: | 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1 | | Authors: | Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-11-20 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
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7BTF
 | | SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | | Deposit date: | 2020-04-01 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
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5BVR
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6MNJ
 | | Hadza microbial sialidase Hz136 | | Descriptor: | Hz136 | | Authors: | Rees, S.D, Zaramela, L, Zengler, K, Chang, G. | | Deposit date: | 2018-10-01 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
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5C20
 | | Crystal structure of EV71 3C Proteinase in complex with Compound 2 | | Descriptor: | 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
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5C6W
 | | anti-CXCL13 scFv - E10 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Tu, C, Bard, J, Mosyak, L. | | Deposit date: | 2015-06-23 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Optimization of a scFv-based biotherapeutic by CDR side-chain clash repair
To Be Published
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5C2B
 | | anti-CXCL13 parental scFv - 3B4 | | Descriptor: | CHLORIDE ION, scFv 3B4 | | Authors: | Tu, C, Bard, J, Mosyak, L. | | Deposit date: | 2015-06-15 | | Release date: | 2015-11-04 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (1.4049 Å) | | Cite: | Optimization of a scFv-based biotherapeutic by CDR side-chain clash repair
To Be Published
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8B2J
 | | Crystal structure of human STING in complex with ADU-S100 | | Descriptor: | (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, CALCIUM ION, SODIUM ION, ... | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-09-14 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Crystal structure of human STING in complex with ADU-S100
To Be Published
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1S1G
 | | Crystal Structure of Kv4.3 T1 Domain | | Descriptor: | Potassium voltage-gated channel subfamily D member 3, ZINC ION | | Authors: | Scannevin, R.H, Wang, K.W, Jow, F, Megules, J, Kopsco, D.C, Edris, W, Carroll, K.C, Lu, Q, Xu, W.X, Xu, Z.B, Katz, A.H, Olland, S, Lin, L, Taylor, M, Stahl, M, Malakian, K, Somers, W, Mosyak, L, Bowlby, M.R, Chanda, P, Rhodes, K.J. | | Deposit date: | 2004-01-06 | | Release date: | 2004-03-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Two N-terminal domains of Kv4 K(+) channels regulate binding to and modulation by KChIP1.
Neuron, 41, 2004
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