6ATF
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![BU of 6atf by Molmil](/molmil-images/mine/6atf) | HLA-DRB1*1402 in complex with Vimentin59-71 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scally, S.W, Ting, Y.T, Rossjohn, J. | Deposit date: | 2017-08-29 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis. Ann. Rheum. Dis., 76, 2017
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2TCI
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![BU of 2tci by Molmil](/molmil-images/mine/2tci) | X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL | Descriptor: | THIOCYANATE INSULIN, THIOCYANATE ION, ZINC ION | Authors: | Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G. | Deposit date: | 1995-09-13 | Release date: | 1996-01-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol. Biochemistry, 34, 1995
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6ATZ
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![BU of 6atz by Molmil](/molmil-images/mine/6atz) | HLA-DRB1*1402 in complex with citrullinated fibrinogen peptide | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta chain, ... | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | Deposit date: | 2017-08-29 | Release date: | 2017-09-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis. Ann. Rheum. Dis., 76, 2017
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6ATI
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![BU of 6ati by Molmil](/molmil-images/mine/6ati) | HLA-DRB1*1402 in complex with Vimentin-64Cit59-71 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Scally, S.W, Ting, Y.T, Rossjohn, J. | Deposit date: | 2017-08-29 | Release date: | 2017-09-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis. Ann. Rheum. Dis., 76, 2017
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8G2E
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![BU of 8g2e by Molmil](/molmil-images/mine/8g2e) | PKM2 bound to compound 2 | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-aminophenyl)methyl]-5-methyl-7-[methyl(oxidanyl)-$l^{3}-sulfanyl]pyridazino[4,5-b]indol-4-one, MAGNESIUM ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2023-02-03 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.838 Å) | Cite: | Development of Novel Small-Molecule Activators of Pyruvate Kinase Muscle Isozyme 2, PKM2, to Reduce Photoreceptor Apoptosis. Pharmaceuticals, 16, 2023
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6BN6
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![BU of 6bn6 by Molmil](/molmil-images/mine/6bn6) | IDENTIFICATION OF BICYCLIC HEXAFLUOROISOPROPYL ALCOHOL SULFONAMIDES AS RORGT/RORC INVERSE AGONISTS | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor ROR-gamma, SULFATE ION | Authors: | Sack, J. | Deposit date: | 2017-11-16 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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4N8P
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![BU of 4n8p by Molmil](/molmil-images/mine/4n8p) | Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Uncharacterized protein | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-10-17 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711] to be published
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4NOF
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![BU of 4nof by Molmil](/molmil-images/mine/4nof) | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Polymeric immunoglobulin receptor | Authors: | Sampathkumar, P, Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor to be published
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4NOB
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![BU of 4nob by Molmil](/molmil-images/mine/4nob) | Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220] | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor to be published
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4N5U
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![BU of 4n5u by Molmil](/molmil-images/mine/4n5u) | Crystal structure of the 4th FN3 domain of human Protein Tyrosine phosphatase, receptor type F [PSI-NYSGRC-006240] | Descriptor: | Receptor-type tyrosine-protein phosphatase F, SULFATE ION | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.456 Å) | Cite: | Crystal structure of the 4th FN3 domain of human PTP, receptor F [PSI-NYSGRC-006240] to be published
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4N68
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![BU of 4n68 by Molmil](/molmil-images/mine/4n68) | Crystal structure of an internal FN3 domain from human Contactin-5 [PSI-NYSGRC-005804] | Descriptor: | Contactin-5, SULFATE ION | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-10-11 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an internal FN3 domain from human Contactin-5 [PSI-NYSGRC-005804] to be published
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3MTH
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![BU of 3mth by Molmil](/molmil-images/mine/3mth) | X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL | Descriptor: | 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, METHYLPARABEN INSULIN, ... | Authors: | Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G. | Deposit date: | 1995-09-13 | Release date: | 1996-01-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol. Biochemistry, 34, 1995
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3ZXC
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![BU of 3zxc by Molmil](/molmil-images/mine/3zxc) | |
3ZXB
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![BU of 3zxb by Molmil](/molmil-images/mine/3zxb) | |
4WGH
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![BU of 4wgh by Molmil](/molmil-images/mine/4wgh) | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution | Descriptor: | ACETATE ION, Aldehyde reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bacal, P, Shabalin, I.G, Cooper, D.R, Hillerich, B.S, Zimmerman, M.D, Chowdhury, S, Hammonds, J, Al Obaidi, N, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-18 | Release date: | 2014-10-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution to be published
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3C0N
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![BU of 3c0n by Molmil](/molmil-images/mine/3c0n) | Crystal structure of the proaerolysin mutant Y221G at 2.2 A | Descriptor: | Aerolysin | Authors: | Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G. | Deposit date: | 2008-01-21 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism. Nat.Chem.Biol., 9, 2013
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3C0O
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![BU of 3c0o by Molmil](/molmil-images/mine/3c0o) | Crystal structure of the proaerolysin mutant Y221G complexed with mannose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Aerolysin | Authors: | Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G. | Deposit date: | 2008-01-21 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism. Nat.Chem.Biol., 9, 2013
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3C0M
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![BU of 3c0m by Molmil](/molmil-images/mine/3c0m) | Crystal structure of the proaerolysin mutant Y221G | Descriptor: | Aerolysin | Authors: | Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G. | Deposit date: | 2008-01-21 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism. Nat.Chem.Biol., 9, 2013
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4XCV
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![BU of 4xcv by Molmil](/molmil-images/mine/4xcv) | Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, NADP-dependent 2-hydroxyacid dehydrogenase, ... | Authors: | Langner, K.M, Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Stead, M, Hillerich, B.S, Chowdhury, S, Hammonds, J, Zimmerman, M.D, Al Obadi, N, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-12-18 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH to be published
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3UBB
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![BU of 3ubb by Molmil](/molmil-images/mine/3ubb) | |
4HK3
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![BU of 4hk3 by Molmil](/molmil-images/mine/4hk3) | I2 Fab (unbound) from CH65-CH67 Lineage | Descriptor: | I2 heavy chain, I2 light chain | Authors: | Schmidt, A.G, Harrison, S.C. | Deposit date: | 2012-10-14 | Release date: | 2012-11-21 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HKX
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![BU of 4hkx by Molmil](/molmil-images/mine/4hkx) | Influenza hemagglutinin in complex with CH67 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CH67 heavy chain, CH67 light chain, ... | Authors: | Schmidt, A.G, Harrison, S.C. | Deposit date: | 2012-10-15 | Release date: | 2012-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HK0
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![BU of 4hk0 by Molmil](/molmil-images/mine/4hk0) | UCA Fab (unbound) from CH65-CH67 Lineage | Descriptor: | UCA heavy chain, UCA light chain | Authors: | Schmidt, A.G, Harrison, S.C. | Deposit date: | 2012-10-14 | Release date: | 2012-11-21 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HKB
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![BU of 4hkb by Molmil](/molmil-images/mine/4hkb) | CH67 Fab (unbound) from the CH65-67 Lineage | Descriptor: | CH67 heavy chain, CH67 light chain | Authors: | Schmidt, A.G, Harrison, S.C. | Deposit date: | 2012-10-15 | Release date: | 2012-11-21 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
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1RWE
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![BU of 1rwe by Molmil](/molmil-images/mine/1rwe) | Enhancing the activity of insulin at receptor edge: crystal structure and photo-cross-linking of A8 analogues | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Wan, Z, Xu, B, Chu, Y.C, Li, B, Nakagawa, S.H, Qu, Y, Hu, S.Q, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2003-12-16 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhancing the activity of insulin at the receptor interface: crystal structure and photo-cross-linking of A8 analogues. Biochemistry, 43, 2004
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