1I5R
 
 | | TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX | | Descriptor: | GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE | | Authors: | Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X. | | Deposit date: | 2001-02-28 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors:
estradiol-adenosine hybrids with high affinity
FASEB J., 16, 2002
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4Q03
 | | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | | Descriptor: | 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | | Deposit date: | 2014-03-31 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.201 Å) | | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
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5TAD
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5TAC
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3MQL
 | | Crystal structure of the fibronectin 6FnI1-2FnII7FnI fragment | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Erat, M.C, Campbell, I.D, Vakonakis, I. | | Deposit date: | 2010-04-28 | | Release date: | 2010-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | Implications for collagen binding from the crystallographic structure of fibronectin 6FnI1-2FnII7FnI
J.Biol.Chem., 285, 2010
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4JTA
 | | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | | Authors: | MacKinnon, R, Banerjee, A, Lee, A, Campbell, E. | | Deposit date: | 2013-03-23 | | Release date: | 2013-06-12 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
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1G4P
 | | THIAMIN PHOSPHATE SYNTHASE | | Descriptor: | 4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE, MAGNESIUM ION, THIAMIN PHOSPHATE SYNTHASE | | Authors: | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2000-10-27 | | Release date: | 2001-09-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase.
Biochemistry, 40, 2001
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1G83
 | | CRYSTAL STRUCTURE OF FYN SH3-SH2 | | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE FYN | | Authors: | Arold, S.T, Ulmer, T.S, Mulhern, T.D, Werner, J.M, Ladbury, J.E, Campbell, I.D, Noble, M.E.M. | | Deposit date: | 2000-11-16 | | Release date: | 2001-05-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The role of the Src homology 3-Src homology 2 interface in the regulation of Src kinases.
J.Biol.Chem., 276, 2001
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5HI8
 | | Structure of T-type Phycobiliprotein Lyase CpeT from Prochlorococcus phage P-HM1 | | Descriptor: | ACETATE ION, Antenna protein, MAGNESIUM ION | | Authors: | Gasper, R, Schwach, J, Frankenberg-Dinkel, N, Hofmann, E. | | Deposit date: | 2016-01-11 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Distinct Features of Cyanophage-encoded T-type Phycobiliprotein Lyase Phi CpeT: THE ROLE OF AUXILIARY METABOLIC GENES.
J. Biol. Chem., 292, 2017
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1G1S
 | | P-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH PSGL-1 PEPTIDE | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose, P-SELECTIN, ... | | Authors: | Somers, W.S, Camphausen, R.T. | | Deposit date: | 2000-10-13 | | Release date: | 2001-10-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
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1HKY
 | | Solution structure of a PAN module from Eimeria tenella | | Descriptor: | MICRONEME PROTEIN 5 PRECURSOR | | Authors: | Brown, P.J, Mulvey, D, Potts, J.R, Tomley, F.M, Campbell, I.D. | | Deposit date: | 2002-10-03 | | Release date: | 2002-10-17 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Pan Module from the Apicomplexan Parasite Eimeria Tenella
J.Struct.Funct.Genom., 4, 2003
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5FSI
 | | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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5FDO
 | | Mcl-1 complexed with small molecule inhibitor | | Descriptor: | 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-12-16 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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3ULT
 | | Crystal structure of an ice-binding protein from the perennial ryegrass, Lolium perenne | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Ice recrystallization inhibition protein-like protein | | Authors: | Middleton, A.J, Faucher, F, Campbell, R.L, Davies, P.L. | | Deposit date: | 2011-11-11 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Antifreeze protein from freeze-tolerant grass has a beta-roll fold with an irregularly structured ice-binding site.
J.Mol.Biol., 416, 2012
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1HUY
 | | CRYSTAL STRUCTURE OF CITRINE, AN IMPROVED YELLOW VARIANT OF GREEN FLUORESCENT PROTEIN | | Descriptor: | GREEN FLUORESCENT PROTEIN | | Authors: | Griesbeck, O, Baird, G.S, Campbell, R.E, Zacharias, D.A, Tsien, R.Y. | | Deposit date: | 2001-01-04 | | Release date: | 2001-07-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reducing the environmental sensitivity of yellow fluorescent protein. Mechanism and applications
J.Biol.Chem., 276, 2001
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3UC7
 | | Trp-cage cyclo-TC1 - monoclinic crystal form | | Descriptor: | CHLORIDE ION, Cyclo-TC1 | | Authors: | Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H. | | Deposit date: | 2011-10-26 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UE8
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ... | | Authors: | Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R. | | Deposit date: | 2011-10-28 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.
ACS Med Chem Lett, 3, 2012
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8CIZ
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A. | | Descriptor: | Beta sliding clamp, Mycoplanecin A | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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3UC8
 | | Trp-cage cyclo-TC1 - tetragonal crystal form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, cyclo-TC1 | | Authors: | Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H. | | Deposit date: | 2011-10-26 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8CIY
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin. | | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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8CIX
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin. | | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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5FJR
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4NCY
 | | In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand | | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | Deposit date: | 2013-10-25 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
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1IRL
 | | THE SOLUTION STRUCTURE OF THE F42A MUTANT OF HUMAN INTERLEUKIN 2 | | Descriptor: | INTERLEUKIN-2 | | Authors: | Mott, H.R, Baines, B.S, Hall, R.M, Cooke, R.M, Driscoll, P.C, Weir, M.P, Campbell, I.D. | | Deposit date: | 1995-08-25 | | Release date: | 1995-12-07 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the F42A mutant of human interleukin 2.
J.Mol.Biol., 247, 1995
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8GNN
 | | Crystal structure of the human RAD9-RAD1-HUS1-RAD17 complex | | Descriptor: | Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Cell cycle checkpoint protein RAD17, ... | | Authors: | Hara, K, Nagata, K, Iida, N, Hashimoto, H. | | Deposit date: | 2022-08-24 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.119 Å) | | Cite: | The 9-1-1 DNA clamp subunit RAD1 forms specific interactions with clamp loader RAD17, revealing functional implications for binding-protein RHINO.
J.Biol.Chem., 299, 2023
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