4PZZ
 
 | | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | | 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 | | Method: | X-RAY DIFFRACTION (1.403 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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1BFA
 | | RECOMBINANT BIFUNCTIONAL HAGEMAN FACTOR/AMYLASE INHIBITOR FROM MAIZE | | Descriptor: | BIFUNCTIONAL AMYLASE/SERINE PROTEASE INHIBITOR | | Authors: | Behnke, C.A, Yee, V.C, Le Trong, I, Pedersen, L.C, Stenkamp, R.E, Kim, S.S, Reeck, G.R, Teller, D.C. | | Deposit date: | 1998-05-13 | | Release date: | 1998-08-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural determinants of the bifunctional corn Hageman factor inhibitor: x-ray crystal structure at 1.95 A resolution.
Biochemistry, 37, 1998
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6ASP
 | | Structure of Grp94 with methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, a Grp94-selective inhibitor and promising therapeutic lead for treating myocilin-associated glaucoma | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endoplasmin, GLYCEROL, ... | | Authors: | Huard, D.J.E, Lieberman, R.L. | | Deposit date: | 2017-08-25 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma.
ACS Chem. Biol., 13, 2018
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4LLQ
 | | Structure of redesigned IgG1 first constant and lambda domains (CH1:Clambda constant redesign 2 beta, CRD2b) at 1.42A | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, mutated CH1, mutated light chain Clambda | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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4LLU
 | | Structure of Pertuzumab Fab with light chain Clambda at 2.16A | | Descriptor: | ACETATE ION, Light chain CLAMBDA, PERTUZUMAB FAB Heavy chain, ... | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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5F2H
 | | 2.75 Angstrom resolution crystal structure of uncharacterized protein from Bacillus cereus ATCC 10987 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Uncharacterized protein | | Authors: | Halavaty, A.S, Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-12-01 | | Release date: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 2.75 Angstrom resolution crystal structure of uncharacterized protein from Bacillus cereus ATCC 10987
To Be Published
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4LMS
 | | Light harvesting complex PC645 from the cryptophyte Chroomonas sp. CCMP270 | | Descriptor: | 15,16-DIHYDROBILIVERDIN, HEXAETHYLENE GLYCOL, PHYCOCYANOBILIN, ... | | Authors: | Harrop, S.J, Wilk, K.E, Curmi, P.M.G. | | Deposit date: | 2013-07-11 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Single-residue insertion switches the quaternary structure and exciton states of cryptophyte light-harvesting proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6AU3
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-30 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
to be published
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6AUM
 | | Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid. | | Descriptor: | 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid, Bifunctional epoxide hydrolase 2, CHLORIDE ION, ... | | Authors: | Kodani, S.D, Bahkta, S, Hwang, S.H, Pakhomova, S, Newcomer, M.E, Morisseau, C, Hammock, B. | | Deposit date: | 2017-09-01 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase.
Bioorg. Med. Chem. Lett., 28, 2018
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1ASE
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1H0B
 | | Endoglucanase cel12A from Rhodothermus marinus | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CELLULASE | | Authors: | Crennell, S.J, Hreggvidsson, G.O, Nordberg-Karlsson, E. | | Deposit date: | 2002-06-17 | | Release date: | 2003-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Structure of Rhodothermus Marinus Cel12A, a Highly Thermostable Family 12 Endoglucanase, at 1.8 A Resolution
J.Mol.Biol., 320, 2002
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1OJ7
 | | STRUCTURAL GENOMICS, UNKNOWN FUNCTION CRYSTAL STRUCTURE OF E. COLI K-12 YQHD | | Descriptor: | 5,6-DIHYDROXY-NADP, BORIC ACID, CHLORIDE ION, ... | | Authors: | Sulzenbacher, G, Perrier, S, Roig-Zamboni, V, Pagot, F, Grisel, S, Salamoni, A, Valencia, C, Bignon, C, Vincentelli, R, Tegoni, M, Cambillau, C. | | Deposit date: | 2003-07-03 | | Release date: | 2004-07-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of E.Coli Alcohol Dehydrogenase Yqhd: Evidence of a Covalently Modified Nadp Coenzyme
J.Mol.Biol., 342, 2004
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1H8Z
 | | Crystal structure of the class D beta-lactamase OXA-13 | | Descriptor: | BETA-LACTAMASE, SULFATE ION | | Authors: | Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W. | | Deposit date: | 2001-02-17 | | Release date: | 2001-07-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem
J.Mol.Biol., 310, 2001
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6AWQ
 | | Anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site | | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, ... | | Authors: | Coleman, J.A, Gouaux, E. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.046 Å) | | Cite: | Structural basis for recognition of diverse antidepressants by the human serotonin transporter.
Nat. Struct. Mol. Biol., 25, 2018
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1BJT
 | | TOPOISOMERASE II RESIDUES 409-1201 | | Descriptor: | TOPOISOMERASE II | | Authors: | Fass, D, Bogden, C.E, Berger, J.M. | | Deposit date: | 1998-06-29 | | Release date: | 1999-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Quaternary changes in topoisomerase II may direct orthogonal movement of two DNA strands.
Nat.Struct.Biol., 6, 1999
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1OGK
 | | The crystal structure of Trypanosoma cruzi dUTPase in complex with dUDP | | Descriptor: | DEOXYURIDINE TRIPHOSPHATASE, DEOXYURIDINE-5'-DIPHOSPHATE | | Authors: | Harkiolaki, M, Dodson, E.J, Bernier-Villamor, V, Turkenburg, J.P, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2003-05-07 | | Release date: | 2004-01-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The Crystal Structure of Trypanosoma Cruzi Dutpase Reveals a Novel Dutp/Dudp Binding Fold
Structure, 12, 2004
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5OPR
 | | Structure of CHK1 10-pt. mutant complex with aminopyridine LRRK2 inhibitor | | Descriptor: | 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-10 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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5OPV
 | | Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor | | Descriptor: | 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-10 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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5OQ5
 | | Structure of CHK1 8-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-10 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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5OQL
 | | Cryo-EM structure of the 90S pre-ribosome from Chaetomium thermophilum | | Descriptor: | 35S rRNA, 40S ribosomal protein S1, 40S ribosomal protein S11-like protein, ... | | Authors: | Cheng, J, Kellner, N, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2017-08-12 | | Release date: | 2017-10-11 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | 3.2- angstrom -resolution structure of the 90S preribosome before A1 pre-rRNA cleavage.
Nat. Struct. Mol. Biol., 24, 2017
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3MA9
 | | Crystal structure of gp41 derived protein complexed with fab 8066 | | Descriptor: | Fab8066 FAB ANTIBODY FRAGMENT, Heavy Chain, Light Chain, ... | | Authors: | Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M. | | Deposit date: | 2010-03-23 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41.
Plos Pathog., 6, 2010
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6V4R
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6AOJ
 | | Crystal structure of Legionella pneumophila effector Ceg4 with N-terminal yeast Hog1p sequence | | Descriptor: | CHLORIDE ION, Ceg4, MAGNESIUM ION | | Authors: | Stogios, P.J, Nocek, B, Cuff, M.E, Evdokimova, E, Egorova, O, Yim, V, Di Leo, R, Savchenko, A. | | Deposit date: | 2017-08-16 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | TheLegionella pneumophilaeffector Ceg4 is a phosphotyrosine phosphatase that attenuates activation of eukaryotic MAPK pathways.
J. Biol. Chem., 293, 2018
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1BTS
 | | THE SOLUTION STRUCTURES OF THE FIRST AND SECOND TRANSMEMBRANE-SPANNING SEGMENTS OF BAND 3 | | Descriptor: | BAND 3 ANION TRANSPORT PROTEIN | | Authors: | Gargaro, A.R, Bloomberg, G.B, Dempsey, C.E, Murray, M, Tanner, M.J.A. | | Deposit date: | 1994-08-03 | | Release date: | 1994-11-01 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The solution structures of the first and second transmembrane-spanning segments of band 3.
Eur.J.Biochem., 221, 1994
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5YCD
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