5RMF
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![BU of 5rmf by Molmil](/molmil-images/mine/5rmf) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z54226006 | Descriptor: | (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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4PWC
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![BU of 4pwc by Molmil](/molmil-images/mine/4pwc) | Phl p 4 I153V N158H variant, a glucose oxidase, 3.5 M NaBr soak | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pollen allergen Phl p 4.0202, ... | Authors: | Zafred, D, Keller, W, Macheroux, P. | Deposit date: | 2014-03-19 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
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5RLH
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![BU of 5rlh by Molmil](/molmil-images/mine/5rlh) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434778 | Descriptor: | 2-(trifluoromethoxy)benzoic acid, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.379 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RM0
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![BU of 5rm0 by Molmil](/molmil-images/mine/5rm0) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719 | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RML
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![BU of 5rml by Molmil](/molmil-images/mine/5rml) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z85956652 | Descriptor: | Helicase, N-(3-chloro-2-methylphenyl)glycinamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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6AAA
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![BU of 6aaa by Molmil](/molmil-images/mine/6aaa) | |
3LWV
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![BU of 3lwv by Molmil](/molmil-images/mine/3lwv) | Structure of H/ACA RNP bound to a substrate RNA containing 2'-deoxyuridine | Descriptor: | 5'-R(*GP*AP*GP*CP*GP*(du)P*GP*CP*GP*GP*UP*UP*U)-3', 50S ribosomal protein L7Ae, H/ACA RNA, ... | Authors: | Zhou, J, Liang, B, Lv, C, Yang, W, Li, H. | Deposit date: | 2010-02-24 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Functional and Structural Impact of Target Uridine Substitutions on the H/ACA Ribonucleoprotein Particle Pseudouridine Synthase . Biochemistry, 49, 2010
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6LE2
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![BU of 6le2 by Molmil](/molmil-images/mine/6le2) | Structure of D-carbamoylase mutant from Nitratireductor indicus | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase | Authors: | Ni, Y, Liu, Y.F, Xu, G.C, Dai, W. | Deposit date: | 2019-11-23 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel Acs Catalysis, 10, 2020
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3LNL
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![BU of 3lnl by Molmil](/molmil-images/mine/3lnl) | Crystal structure of Staphylococcus aureus protein SA1388 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, UPF0135 protein SA1388, ZINC ION | Authors: | Singh, K.S, Chruszcz, M, Zhang, X, Minor, W, Zhang, H. | Deposit date: | 2010-02-02 | Release date: | 2010-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a Conserved Hypothetical Protein Sa1388 from S. aureus Reveals a Capped Hexameric Toroid with Two Pii Domain Lids and a Dinuclear Metal Center. Bmc Struct.Biol., 6, 2006
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2ME4
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![BU of 2me4 by Molmil](/molmil-images/mine/2me4) | HIV-1 gp41 clade C Membrane Proximal External Region peptide in DPC micelle | Descriptor: | Envelope glycoprotein gp160 | Authors: | Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W. | Deposit date: | 2013-09-20 | Release date: | 2013-10-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41. J.Mol.Biol., 426, 2014
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5RL9
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![BU of 5rl9 by Molmil](/molmil-images/mine/5rl9) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1703168683 | Descriptor: | 1-(3-fluoro-4-methylphenyl)methanesulfonamide, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.788 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RLS
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![BU of 5rls by Molmil](/molmil-images/mine/5rls) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z59181945 | Descriptor: | Helicase, N-hydroxyquinoline-2-carboxamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.278 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RMD
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![BU of 5rmd by Molmil](/molmil-images/mine/5rmd) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z57614330 | Descriptor: | Helicase, N-ethyl-4-[(methylsulfonyl)amino]benzamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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3LOC
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![BU of 3loc by Molmil](/molmil-images/mine/3loc) | Crystal structure of putative transcriptional regulator ycdc | Descriptor: | HTH-type transcriptional regulator rutR, URACIL | Authors: | Patskovsky, Y.V, Knapik, A.A, Mennella, V, Burley, S.K, Minor, W, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-02-03 | Release date: | 2010-03-16 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Hypothetical Transcriptional Regulator Ycdc from Escherichia Coli To be Published
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2M2V
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![BU of 2m2v by Molmil](/molmil-images/mine/2m2v) | |
4QB5
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![BU of 4qb5 by Molmil](/molmil-images/mine/4qb5) | Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118 | Descriptor: | 1,2-ETHANEDIOL, Glyoxalase/bleomycin resistance protein/dioxygenase, SULFATE ION | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-05-06 | Release date: | 2014-07-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118 To be Published
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2ME1
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![BU of 2me1 by Molmil](/molmil-images/mine/2me1) | HIV-1 gp41 clade B double alanine mutant Membrane Proximal External Region peptide in DPC micelle | Descriptor: | Gp41 | Authors: | Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W. | Deposit date: | 2013-09-20 | Release date: | 2013-10-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41. J.Mol.Biol., 426, 2014
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2ME2
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![BU of 2me2 by Molmil](/molmil-images/mine/2me2) | HIV-1 gp41 clade C Membrane Proximal External Region peptide in DPC micelle | Descriptor: | Envelope glycoprotein gp160 | Authors: | Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W. | Deposit date: | 2013-09-20 | Release date: | 2013-10-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41. J.Mol.Biol., 426, 2014
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3LWR
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![BU of 3lwr by Molmil](/molmil-images/mine/3lwr) | Structure of H/ACA RNP bound to a substrate RNA containing 4SU | Descriptor: | 5'-R(*GP*AP*GP*CP*GP*(4SU)P*GP*CP*GP*GP*UP*UP*U)-3', 50S ribosomal protein L7Ae, H/ACA RNA, ... | Authors: | Zhou, J, Liang, B, Lv, C, Yang, W, Li, H. | Deposit date: | 2010-02-24 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Functional and Structural Impact of Target Uridine Substitutions on the H/ACA Ribonucleoprotein Particle Pseudouridine Synthase . Biochemistry, 49, 2010
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3LWQ
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![BU of 3lwq by Molmil](/molmil-images/mine/3lwq) | Structure of H/ACA RNP bound to a substrate RNA containing 3MU | Descriptor: | 5'-R(*GP*AP*GP*CP*GP*(UR3)P*GP*CP*GP*GP*UP*UP*U)-3, 50S ribosomal protein L7Ae, H/ACA RNA, ... | Authors: | Zhou, J, Liang, B, Lv, C, Yang, W, Li, H. | Deposit date: | 2010-02-24 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.678 Å) | Cite: | Functional and Structural Impact of Target Uridine Substitutions on the H/ACA Ribonucleoprotein Particle Pseudouridine Synthase . Biochemistry, 49, 2010
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6AIB
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![BU of 6aib by Molmil](/molmil-images/mine/6aib) | Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA | Descriptor: | DEAD-box ATP-dependent RNA helicase CshA | Authors: | Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z. | Deposit date: | 2018-08-22 | Release date: | 2018-11-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP Acta Crystallogr F Struct Biol Commun, 74, 2018
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4PVK
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![BU of 4pvk by Molmil](/molmil-images/mine/4pvk) | Phl p 4 I153V N158H variant, a glucose oxidase | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, ... | Authors: | Zafred, D, Teufelberger, A, Keller, W, Macheroux, P. | Deposit date: | 2014-03-17 | Release date: | 2014-04-02 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
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6M9L
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![BU of 6m9l by Molmil](/molmil-images/mine/6m9l) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | Descriptor: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-23 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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4PVH
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![BU of 4pvh by Molmil](/molmil-images/mine/4pvh) | Phl p 4 N158H variant, a glucose dehydrogenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ... | Authors: | Zafred, D, Teufelberger, A, Keller, W, Macheroux, P. | Deposit date: | 2014-03-17 | Release date: | 2014-04-02 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Febs J., 282, 2015
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3O4F
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![BU of 3o4f by Molmil](/molmil-images/mine/3o4f) | Crystal Structure of Spermidine Synthase from E. coli | Descriptor: | SULFATE ION, Spermidine synthase | Authors: | Zhou, X, Tkaczuk, K.L, Chruszcz, M, Chua, T.K, Minor, W, Sivaraman, J. | Deposit date: | 2010-07-27 | Release date: | 2010-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The crystal structure of Escherichia coli spermidine synthase SpeE reveals a unique substrate-binding pocket J.Struct.Biol., 169, 2010
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