2Q3G
 
 | | Structure of the PDZ domain of human PDLIM7 bound to a C-terminal extension from human beta-tropomyosin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ and LIM domain protein 7 | | Authors: | Gileadi, C, Papagrigoriou, E, Elkins, J, Burgess-Brown, N, Salah, E, Gileadi, O, Umeano, C, Bunkoczi, G, von Delft, F, Uppenberg, J, Pike, A.C.W, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-30 | | Release date: | 2007-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
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3KXF
 | | Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J. | | Deposit date: | 2009-12-03 | | Release date: | 2010-06-09 | | Last modified: | 2014-02-26 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 107, 2010
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3RPB
 | | THE C2B-DOMAIN OF RABPHILIN: STRUCTURAL VARIATIONS IN A JANUS-FACED DOMAIN | | Descriptor: | RABPHILIN 3-A | | Authors: | Ubach, J, Garcia, J, Nittler, M.P, Sudhof, T.C, Rizo, J. | | Deposit date: | 1999-04-19 | | Release date: | 1999-12-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the Janus-faced C2B domain of rabphilin.
Nat.Cell Biol., 1, 1999
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4RUG
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4RMI
 | | Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | | Descriptor: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RY0
 | | Crystal structure of ribose transporter solute binding protein RHE_PF00037 from Rhizobium etli CFN 42, TARGET EFI-511357, in complex with D-ribose | | Descriptor: | CALCIUM ION, CHLORIDE ION, Probable ribose ABC transporter, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-12-12 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of Ribose Transporter Solute Binding Protein from Rhizobium Etly, Target Efi-511357
To be Published
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4CD4
 | | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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2ESU
 | | Crystal structure of Asn to Gln mutant of Winged Bean Chymotrypsin Inhibitor protein | | Descriptor: | Chymotrypsin inhibitor 3, NICKEL (II) ION, SULFATE ION | | Authors: | Dattagupta, J.K, Sen, U, Dasgupta, J, Khamrui, S. | | Deposit date: | 2005-10-27 | | Release date: | 2006-06-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Spacer Asn Determines the Fate of Kunitz (STI) Inhibitors, as Revealed by Structural and Biochemical Studies on WCI Mutants.
Biochemistry, 45, 2006
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2PLW
 | | Crystal structure of a ribosomal RNA methyltransferase, putative, from Plasmodium falciparum (PF13_0052). | | Descriptor: | Ribosomal RNA methyltransferase, putative, S-ADENOSYLMETHIONINE, ... | | Authors: | Wernimont, A.K, Hassanali, A, Lin, L, Lew, J, Zhao, Y, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-04-20 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a ribosomal RNA methyltransferase, putative, from Plasmodium falciparum (PF13_0052).
To be Published
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3KNX
 | | HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor | | Descriptor: | (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ... | | Authors: | Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G. | | Deposit date: | 2009-11-12 | | Release date: | 2010-10-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
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6K2L
 | | Crystal structure of the Siderophore-interacting protein SipS from Aeromonas hydrophila | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Siderophore-interacting protein | | Authors: | Shang, F, Lan, J, Liu, W, Xu, Y. | | Deposit date: | 2019-05-14 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the Siderophore-interacting protein SIP from Aeromonas hydrophila.
Biochem.Biophys.Res.Commun., 519, 2019
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4BU4
 | | RIBONUCLEASE T1 COMPLEX WITH 2'GMP | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1) | | Authors: | Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J. | | Deposit date: | 1998-09-14 | | Release date: | 1998-09-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
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4S3F
 | | IspG in complex with Inhibitor 8 (compound 1077) | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4NS1
 | | Crystal structure of purine nucleoside phosphorylase from Porphyromonas gingivalis ATCC 33277, NYSGRC Target 30972 | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, GLYCEROL, Purine nucleoside phosphorylase, ... | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-11-27 | | Release date: | 2013-12-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of purine nucleoside phosphorylase from Porphyromonas gingivalis ATCC 33277, NYSGRC Target 30972.
To be Published
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1ZMX
 | | Crystal structure of D. melanogaster deoxyribonucleoside kinase N64D mutant in complex with thymidine | | Descriptor: | Deoxynucleoside kinase, SULFATE ION, THYMIDINE | | Authors: | Welin, M, Skovgaard, T, Knecht, W, Berenstein, D, Munch-Petersen, B, Piskur, J, Eklund, H. | | Deposit date: | 2005-05-11 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for the changed substrate specificity of Drosophila melanogaster deoxyribonucleoside kinase mutant N64D.
Febs J., 272, 2005
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4C36
 | | PKA-S6K1 Chimera with compound 15e (CCT147581) bound | | Descriptor: | 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | Deposit date: | 2013-08-21 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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6KKR
 | | human KCC1 structure determined in KCl and detergent GDN | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-10-23 | | Last modified: | 2020-08-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
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4CA0
 | | Structural Basis for the microtubule binding of the human kinetochore Ska complex | | Descriptor: | SPINDLE AND KINETOCHORE-ASSOCIATED PROTEIN 1 | | Authors: | Abad, M, Medina, B, Santamaria, A, Zou, J, Plasberg-Hill, C, Madhumalar, A, Jayachandran, U, Redli, P.M, Rappsilber, J, Nigg, E.A, Jeyaprakash, A.A. | | Deposit date: | 2013-10-04 | | Release date: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (2.259 Å) | | Cite: | Structural Basis for Microtubule Recognition by the Human Kinetochore Ska Complex.
Nat.Commun., 5, 2014
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2PUT
 | | The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans | | Descriptor: | ACETATE ION, FRUCTOSE -6-PHOSPHATE, SODIUM ION, ... | | Authors: | Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W. | | Deposit date: | 2007-05-09 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans
J.Mol.Biol., 372, 2007
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1T48
 | | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Erlanson, D.A, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | | Deposit date: | 2004-04-28 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
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3KW6
 | | Crystal Structure of a domain of 26S proteasome regulatory subunit 8 from homo sapiens. Northeast Structural Genomics Consortium target id HR3102A | | Descriptor: | 26S protease regulatory subunit 8 | | Authors: | Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-11-30 | | Release date: | 2009-12-22 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of a domain of 26S proteasome regulatory subunit 8 from homo sapiens. Northeast Structural Genomics Consortium target id HR3102A
To be Published
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6KMS
 | | Crystal structure of human N6amt1-Trm112 in complex with SAM (space group I422) | | Descriptor: | Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYLMETHIONINE | | Authors: | Li, W.J, Shi, Y, Zhang, T.L, Ye, J, Ding, J.P. | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insight into human N6amt1-Trm112 complex functioning as a protein methyltransferase.
Cell Discov, 5, 2019
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4AYQ
 | | Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with mannoimidazole | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J. | | Deposit date: | 2012-06-21 | | Release date: | 2013-01-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4RK1
 | | Crystal structure of LacI family transcriptional regulator from Enterococcus faecium, Target EFI-512930, with bound ribose | | Descriptor: | CHLORIDE ION, Ribose transcriptional regulator, alpha-D-ribofuranose | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-10-11 | | Release date: | 2014-10-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of LacI Transcriptional Regulator Rbsr from Enterococcus faecium, Target EFI-512930
To be Published
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2GP3
 | | Crystal structure of the catalytic core domain of jmjd2a | | Descriptor: | FE (II) ION, Jumonji domain-containing protein 2A, ZINC ION | | Authors: | Chen, Z, Zang, J, Whetstine, J, Hong, X, Davrazou, F, Kutateladze, T.G, Simpson, M, Dai, S, Hagman, J, Shi, Y, Zhang, G. | | Deposit date: | 2006-04-16 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into histone demethylation by JMJD2 family members
Cell(Cambridge,Mass.), 125, 2006
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