5TVR
 
 | | JMJD2A in complex with Ni(II) and alpha-Ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Cascella, B, Lee, S.G, Jez, J.M. | | Deposit date: | 2016-11-09 | | Release date: | 2017-02-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.
Chem. Commun. (Camb.), 53, 2017
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2OO3
 | | Crystal structure of protein LPL1258 from Legionella pneumophila str. Philadelphia 1, Pfam DUF519 | | Descriptor: | Protein involved in catabolism of external DNA, SULFATE ION | | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Slocombe, A, Reyes, C, Ozyurt, S, Smyth, L, Atwell, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-01-25 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the hypothetical lpl1258 protein from Legionella pneumophila
To be Published
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2OQI
 | | Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine | | Descriptor: | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP) | | Authors: | Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D, Backes, B.J, Lai, C, Lubben, T.H, Ballaron, S.J, Beno, D.W, Kempf-Grote, A.J, Sham, H.L, Trevillyan, J.M. | | Deposit date: | 2007-01-31 | | Release date: | 2007-04-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | Deposit date: | 2016-12-08 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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2OVD
 | | Crystal Structure of Human Complement Protein C8gamma with Laurate | | Descriptor: | Complement component 8, gamma polypeptide, LAURIC ACID | | Authors: | Chiswell, B, Lovelace, L.L, Brannen, C, Ortlund, E.A, Lebioda, L, Sodetz, J.M. | | Deposit date: | 2007-02-13 | | Release date: | 2007-05-22 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural features of the ligand binding site on human complement protein C8gamma: A member of the lipocalin family
Biochim.Biophys.Acta, 1774, 2007
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5TWQ
 | | Post-catalytic nicked complex of human Polymerase Mu with newly incorporated UTP | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ... | | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | | Deposit date: | 2016-11-14 | | Release date: | 2017-07-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
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2OYN
 | | Crystal structure of CDP-bound protein MJ0056 from Methanococcus jannaschii, Pfam DUF120 | | Descriptor: | CYTIDINE-5'-DIPHOSPHATE, Hypothetical protein MJ0056, SODIUM ION | | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-22 | | Release date: | 2007-03-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of hypothetical protein from Methanococcus jannaschii bound to CDP
TO BE PUBLISHED
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6B3U
 | | Solution Structure of HIV-1 GP41 Transmembrane Domain in Bicelles | | Descriptor: | HIV-1 GP41 Transmembrane Domain | | Authors: | Chiliveri, S.C, Louis, J.M, Ghirlando, R, Baber, J.L, Bax, A. | | Deposit date: | 2017-09-24 | | Release date: | 2018-01-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Tilted, Uninterrupted, Monomeric HIV-1 gp41 Transmembrane Helix from Residual Dipolar Couplings.
J. Am. Chem. Soc., 140, 2018
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2PCS
 | | Crystal structure of conserved protein from Geobacillus kaustophilus | | Descriptor: | Conserved protein, UNKNOWN LIGAND | | Authors: | Bonanno, J.B, Gilmore, J, Bain, K.T, Wu, B, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-03-30 | | Release date: | 2007-04-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of conserved protein from Geobacillus kaustophilus
To be Published
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2PCY
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2OQY
 | | The crystal structure of muconate cycloisomerase from Oceanobacillus iheyensis | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Toro, R, Fedorov, E.V, Bonanno, J, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-01 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
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2OVE
 | | Crystal Structure of Recombinant Human Complement Protein C8gamma | | Descriptor: | Complement component 8, gamma polypeptide | | Authors: | Chiswell, B, Lovelace, L.L, Brannen, C, Ortlund, E.A, Lebioda, L, Sodetz, J.M. | | Deposit date: | 2007-02-13 | | Release date: | 2007-05-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural features of the ligand binding site on human complement protein C8gamma: A member of the lipocalin family
Biochim.Biophys.Acta, 1774, 2007
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2OXV
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2OR7
 | | Tim-2 | | Descriptor: | ACETATE ION, T-cell immunoglobulin and mucin domain-containing protein 2 | | Authors: | Santiago, C, Ballesteros, A, Kaplan, G.G, Casasnovas, J.M. | | Deposit date: | 2007-02-02 | | Release date: | 2007-04-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of T Cell Immunoglobulin Mucin Receptors 1 and 2 Reveal Mechanisms for Regulation of Immune Responses by the TIM Receptor Family.
Immunity, 26, 2007
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2OVA
 | | X-ray structure of Human Complement Protein C8gamma Y83W Mutant | | Descriptor: | Complement component 8, gamma polypeptide | | Authors: | Chiswell, B, Lovelace, L.L, Brannen, C, Ortlund, E.A, Lebioda, L, Sodetz, J.M. | | Deposit date: | 2007-02-13 | | Release date: | 2007-05-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural features of the ligand binding site on human complement protein C8gamma: A member of the lipocalin family
Biochim.Biophys.Acta, 1774, 2007
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2OYC
 | | Crystal structure of human pyridoxal phosphate phosphatase | | Descriptor: | Pyridoxal phosphate phosphatase, SODIUM ION, TUNGSTATE(VI)ION | | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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5TY5
 | | Neutron structure from microgravity-grown crystals of Inorganic Pyrophosphatase from Thermococcus theoreducens | | Descriptor: | Inorganic pyrophosphatase | | Authors: | Inoguchi, N, Coates, L, Morris, M.L, Singhal, A, Monaco, D.A, Garcia-Ruiz, J.M, Pusey, M.L, Ng, J.D. | | Deposit date: | 2016-11-18 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Structure-function analysis of the neutron crystallographic structure of inorganic pyrophosphatase determined from microgravity-grown crystals
Acta Crystallogr.,Sect.A, 73, 2017
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2OR8
 | | Tim-1 | | Descriptor: | ACETATE ION, Hepatitis A virus cellular receptor 1 homolog | | Authors: | Santiago, C, Ballesteros, A, Kaplan, G.G, Casasnovas, J.M. | | Deposit date: | 2007-02-02 | | Release date: | 2007-04-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of T Cell Immunoglobulin Mucin Receptors 1 and 2 Reveal Mechanisms for Regulation of Immune Responses by the TIM Receptor Family.
Immunity, 26, 2007
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2OVC
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2P69
 | | Crystal Structure of Human Pyridoxal Phosphate Phosphatase with PLP | | Descriptor: | CALCIUM ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate phosphatase | | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-03-16 | | Release date: | 2007-04-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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2OZ8
 | | Crystal structure of putative mandelate racemase from Mesorhizobium loti | | Descriptor: | Mll7089 protein, SULFATE ION | | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Wu, B, Sridhar, V, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-25 | | Release date: | 2007-03-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal structure of putative mandelate racemase from Mesorhizobium loti
To be Published
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6BHR
 | | HIV-1 immature CTD-SP1 hexamer in complex with IP6 | | Descriptor: | Capsid protein p24,Spacer peptide 1, INOSITOL HEXAKISPHOSPHATE | | Authors: | Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. | | Deposit date: | 2017-10-31 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.908 Å) | | Cite: | Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
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2PCE
 | | Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM | | Descriptor: | PHOSPHATE ION, putative mandelate racemase/muconate lactonizing enzyme | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-03-29 | | Release date: | 2007-04-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM
To be Published
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2OLA
 | | Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, cubic crystal form | | Descriptor: | O-succinylbenzoic acid synthetase | | Authors: | Patskovsky, Y, Sauder, J.M, Ozyurt, S, Wasserman, S.R, Smith, D, Dickey, M, Maletic, M, Reyes, C, Gheyi, T, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-01-18 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2OO2
 | | Crystal structure of protein AF1782 from Archaeoglobus fulgidus, Pfam DUF357 | | Descriptor: | Hypothetical protein AF_1782 | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Adams, J, Sridhar, V, Smyth, L, Freeman, J, Atwell, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-01-25 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the hypothetical AF_1782 protein from Archaeoglobus fulgidus
To be Published
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