4Q3F
 
 | | Human D-DT complexed with tartrate | | Descriptor: | D-dopachrome decarboxylase, L(+)-TARTARIC ACID | | Authors: | Rajasekaran, D, Lolis, E. | | Deposit date: | 2014-04-11 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment.
Faseb J., 28, 2014
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4M5V
 | | Influenza 2009 H1N1 endonuclease with 100 millimolar calcium | | Descriptor: | CALCIUM ION, Polymerase PA, SULFATE ION | | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | | Deposit date: | 2013-08-08 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
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5EI1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol | | Descriptor: | 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-10-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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1BF5
 | | TYROSINE PHOSPHORYLATED STAT-1/DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*CP*AP*GP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*G P*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*CP*T P*G)-3'), SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION 1-ALPHA/BETA | | Authors: | Kuriyan, J, Zhao, Y, Chen, X, Vinkemeier, U, Jeruzalmi, D, Darnell Jr, J.E. | | Deposit date: | 1998-05-27 | | Release date: | 1998-08-12 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a tyrosine phosphorylated STAT-1 dimer bound to DNA.
Cell(Cambridge,Mass.), 93, 1998
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1JNQ
 | | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH EPIGALLOCATHECHIN (EGC) | | Descriptor: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, FE (II) ION, lipoxygenase-3 | | Authors: | Zhou, K, Skrzypczak-Jankun, E, Jankun, J. | | Deposit date: | 2001-07-24 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of lipoxygenase by (-)-epigallocatechin gallate: X-ray analysis at 2.1 A reveals degradation of EGCG
and shows soybean LOX-3 complex with EGC instead.
INT.J.MOL.MED., 12, 2003
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2IK8
 | | Crystal structure of the heterodimeric complex of human RGS16 and activated Gi alpha 1 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | | Authors: | Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Debreczeni, J, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-02 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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7KKL
 | | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | Deposit date: | 2020-10-27 | | Release date: | 2020-11-11 | | Last modified: | 2021-04-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
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7VM1
 | | Crystal Structure of HasAp Capturing Iron Tetra(4-pyridyl)porphyrin | | Descriptor: | Fe-Tetra(4-pyridyl)porphyrin, GLYCEROL, Heme acquisition protein HasAp | | Authors: | Shisaka, Y, Ueda, G, Sakakibara, E, Sugimoto, H, Shoji, O. | | Deposit date: | 2021-10-06 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022
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7KRF
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710) | | Descriptor: | 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | Authors: | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2020-11-19 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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1BEO
 | | BETA-CRYPTOGEIN | | Descriptor: | BETA-CRYPTOGEIN | | Authors: | Boissy, G, De La Fortelle, E, Kahn, R, Huet, J.C, Bricogne, G, Pernollet, J.C, Brunie, S. | | Deposit date: | 1996-08-02 | | Release date: | 1997-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a fungal elicitor secreted by Phytophthora cryptogea, a member of a novel class of plant necrotic proteins.
Structure, 4, 1996
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1NIF
 | | THE STRUCTURE OF CU-NITRITE REDUCTASE FROM ACHROMOBACTER CYCLOCLASTES AT FIVE PH VALUES, WITH NITRITE BOUND AND WITH TYPE II CU DEPLETED | | Descriptor: | COPPER (II) ION, NITRITE REDUCTASE | | Authors: | Adman, E.T, Godden, J.W, Turley, S. | | Deposit date: | 1995-07-03 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of copper-nitrite reductase from Achromobacter cycloclastes at five pH values, with NO2- bound and with type II copper depleted.
J.Biol.Chem., 270, 1995
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4DG4
 | | Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI) | | Descriptor: | CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor, ... | | Authors: | Salameh, M.A, Soares, A.S, Radisky, E.S. | | Deposit date: | 2012-01-24 | | Release date: | 2012-09-12 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Presence versus absence of hydrogen bond donor Tyr-39 influences interactions of cationic trypsin and mesotrypsin with protein protease inhibitors.
Protein Sci., 21, 2012
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1SCO
 | | SCORPION TOXIN (OSK1 TOXIN) WITH HIGH AFFINITY FOR SMALL CONDUCTANCE CA(2+)-ACTIVATED K+ CHANNEL IN NEUROBLASTOMA-X-GLUOMA NG 108-15 HYBRID CELLS, NMR, 30 STRUCTURES | | Descriptor: | SCORPION TOXIN OSK1 | | Authors: | Jaravine, V.A, Nolde, D.E, Pluzhnikov, K.A, Grishin, E.V, Arseniev, A.S. | | Deposit date: | 1996-04-01 | | Release date: | 1997-01-27 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of toxin OSK1 from Orthochirus scrobiculosus scorpion venom.
Biochemistry, 36, 1997
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8DDI
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8DDM
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7KRC
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709) | | Descriptor: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | Authors: | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2020-11-19 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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5EK9
 | | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor | | Descriptor: | Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-03 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorg. Med. Chem., 26, 2018
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3FN4
 | | Apo-form of NAD-dependent formate dehydrogenase from bacterium Moraxella sp.C-1 in closed conformation | | Descriptor: | GLYCEROL, NAD-dependent formate dehydrogenase, SULFATE ION | | Authors: | Shabalin, I.G, Polyakov, K.M, Filippova, E.V, Dorovatovskiy, P.V, Tikhonova, T.V, Sadykhov, E.G, Tishkov, V.I, Popov, V.O. | | Deposit date: | 2008-12-23 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structures of the apo and holo forms of formate dehydrogenase from the bacterium Moraxella sp. C-1: towards understanding the mechanism of the closure of the interdomain cleft
Acta Crystallogr.,Sect.D, 65, 2009
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4QBM
 | | Crystal structure of human BAZ2A bromodomain in complex with a diacetylated histone 4 peptide (H4K16acK20ac) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, histone H4 peptide with sequence Gly-Ala-Lys(ac)-Arg-His-Arg-Lys(ac)-Val-Leu | | Authors: | Tallant, C, Nunez-Alonso, G, Picaud, S, Filippakopoulos, P, Krojer, T, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-05-08 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
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7EDU
 | | RNA duplex containing C-Au-C base pair | | Descriptor: | GOLD ION, RNA (5'-R(*GP*GP*AP*CP*UP*CP*GP*AP*CP*UP*CP*C)-3') | | Authors: | Kondo, J, Iwase, E. | | Deposit date: | 2021-03-17 | | Release date: | 2022-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | RNA duplex containing C-Au-C base pair
To Be Published
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1F33
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5ENN
 | | The crystal structure of Human VPS34 in complex with a selective and potent inhibitor | | Descriptor: | 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Kearney, E.P. | | Deposit date: | 2015-11-09 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Potent, selective, and orally bioavailable inhibitors of VPS34 provide chemical tools to modulate autophagy in vivo
To Be Published
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7EDW
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7KQ2
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4PWA
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