4L6C
 
 | | Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor pib-t | | Descriptor: | 1,2-ETHANEDIOL, 1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, ... | | Authors: | Pachl, P, Brynda, J, Rezacova, P. | | Deposit date: | 2013-06-12 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
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4MGX
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4MCU
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4LUV
 | | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | | Descriptor: | 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2013-07-25 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
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4LUO
 | | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | | Descriptor: | 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2013-07-25 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
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4LW1
 | | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | | Descriptor: | 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2013-07-26 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
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4LWC
 | | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | | Descriptor: | 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2013-07-26 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
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4LUP
 | | Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand | | Descriptor: | 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli | | Authors: | Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G. | | Deposit date: | 2013-07-25 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis for -10 promoter element melting by environmentally induced sigma factors.
Nat.Struct.Mol.Biol., 21, 2014
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4LUZ
 | | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | | Descriptor: | 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2013-07-25 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
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3FD7
 | | Crystal structure of Onconase C87A/C104A-ONC | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein P-30, ... | | Authors: | Neumann, P, Schulenburg, C, Arnold, U, Ulbrich-Hofmann, R, Stubbs, M.T. | | Deposit date: | 2008-11-25 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.531 Å) | | Cite: | Impact of the C-terminal disulfide bond on the folding and stability of onconase.
Chembiochem, 11, 2010
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4MN3
 | | Chromodomain antagonists that target the polycomb-group methyllysine reader protein Chromobox homolog 7 (CBX7) | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Chromobox protein homolog 7, ... | | Authors: | Chakravarthi, S, Daze, K, Douglas, S, Quon, T, Dev, A, Peng, F, Heller, M, Boulanger, M.J, Wulff, J, Hof, F. | | Deposit date: | 2013-09-09 | | Release date: | 2014-04-02 | | Last modified: | 2014-10-08 | | Method: | X-RAY DIFFRACTION (1.542 Å) | | Cite: | Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7).
J.Med.Chem., 57, 2014
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4MO2
 | | Crystal Structure of UDP-N-acetylgalactopyranose mutase from Campylobacter jejuni | | Descriptor: | AMMONIUM ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dalrymple, S.A, Protsko, C, Poulin, M.B, Lowary, T.L, Sanders, D.A.R. | | Deposit date: | 2013-09-11 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Specificity of a UDP-GalNAc Pyranose-Furanose Mutase: A Potential Therapeutic Target for Campylobacter jejuni Infections.
Chembiochem, 15, 2014
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7ALR
 | | Crystal structure of TD1-gatorbulin1 complex | | Descriptor: | (2~{R})-2-oxidanyl-2-[(6~{S},9~{S},12~{S},15~{S},17~{S})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide, Designed Ankyrin Repeat Protein (DARPIN) D1, GLYCEROL, ... | | Authors: | Oliva, M.A, Diaz, J.F. | | Deposit date: | 2020-10-07 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Gatorbulin-1, a distinct cyclodepsipeptide chemotype, targets a seventh tubulin pharmacological site.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4MQV
 | | Crystal complex of Rpa32c and Smarcal1 N-terminus | | Descriptor: | Replication protein A 32 kDa subunit, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A-like protein 1 | | Authors: | Xie, S, Qian, C.M. | | Deposit date: | 2013-09-16 | | Release date: | 2014-07-02 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of RPA32 bound to the N-terminus of SMARCAL1 redefines the binding interface between RPA32 and its interacting proteins
Febs J., 281, 2014
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3CJJ
 | | Crystal structure of human rage ligand-binding domain | | Descriptor: | ACETATE ION, Advanced glycosylation end product-specific receptor, ZINC ION | | Authors: | Koch, M, Dattilo, B.M, Schiefner, A, Diez, J, Chazin, W.J, Fritz, G. | | Deposit date: | 2008-03-13 | | Release date: | 2009-03-24 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for ligand recognition and activation of RAGE.
Structure, 18, 2010
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4MWO
 | | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor CPB-T | | Descriptor: | 1-{3,5-O-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | | Authors: | Pachl, P, Rezacova, P, Brynda, J. | | Deposit date: | 2013-09-25 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
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4MYS
 | | 1.4 Angstrom Crystal Structure of 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase with SHCHC and Pyruvate | | Descriptor: | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, GLYCEROL, ... | | Authors: | Sun, Y, Yin, S, Feng, Y, Li, J, Zhou, J, Liu, C, Zhu, G, Guo, Z. | | Deposit date: | 2013-09-28 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.423 Å) | | Cite: | Molecular basis of the general base catalysis of an alpha / beta-hydrolase catalytic triad.
J.Biol.Chem., 289, 2014
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4N19
 | | Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | | Authors: | Mustafi, S.M, Brecher, M.B, Zhang, J, Li, H.M, Lemaster, D.M, Hernandez, G. | | Deposit date: | 2013-10-03 | | Release date: | 2014-02-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis of conformational transitions in the active site and 80's loop in the FK506-binding protein FKBP12.
Biochem.J., 458, 2014
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4N7C
 | | Structural re-examination of native Bla g 4 | | Descriptor: | 4-(2-aminoethyl)phenol, Bla g 4 allergen variant 1, CITRIC ACID, ... | | Authors: | Offermann, L.R, Chan, S.L, Osinski, T, Tan, Y.W, Chew, F.T, Sivaraman, J, Mok, Y.K, Minor, W, Chruszcz, M. | | Deposit date: | 2013-10-15 | | Release date: | 2014-05-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The major cockroach allergen Bla g 4 binds tyramine and octopamine.
Mol.Immunol., 60, 2014
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4N0J
 | | Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A resolution | | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | McGovern, R.E, Crowley, P.B. | | Deposit date: | 2013-10-02 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural study of a small molecule receptor bound to dimethyllysine in lysozyme.
Chem Sci, 6, 2015
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4L1L
 | | Rat PKC C2 domain bound to CD | | Descriptor: | CADMIUM ION, Protein kinase C alpha type, SULFATE ION | | Authors: | Morales, K.M, Yang, Y, Long, Z, Li, P, Taylor, A.B, Hart, P.J, Igumenova, T.I. | | Deposit date: | 2013-06-03 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cd(2+) as a ca(2+) surrogate in protein-membrane interactions: isostructural but not isofunctional.
J.Am.Chem.Soc., 135, 2013
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4LHH
 | | Endothiapepsin in complex with 2mM acylhydrazone inhibitor | | Descriptor: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Radeva, N, Heine, A, Klebe, G. | | Deposit date: | 2013-07-01 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4N7D
 | | Selenomethionine incorporated Bla g 4 | | Descriptor: | Bla g 4 allergen variant 1, CITRIC ACID, GLYCEROL | | Authors: | Offermann, L.R, Chan, S.L, Osinski, T, Tan, Y.W, Chew, F.T, Sivaraman, J, Mok, Y.K, Minor, W, Chruszcz, M. | | Deposit date: | 2013-10-15 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The major cockroach allergen Bla g 4 binds tyramine and octopamine.
Mol.Immunol., 60, 2014
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4N3E
 | | Crystal structure of Hyp-1, a St John's wort PR-10 protein, in complex with 8-anilino-1-naphthalene sulfonate (ANS) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-ANILINO-1-NAPHTHALENE SULFONATE, Phenolic oxidative coupling protein, ... | | Authors: | Sliwiak, J, Dauter, Z, Mccoy, A.J, Read, R.J, Jaskolski, M. | | Deposit date: | 2013-10-07 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Likelihood-based molecular-replacement solution for a highly pathological crystal with tetartohedral twinning and sevenfold translational noncrystallographic symmetry.
Acta Crystallogr.,Sect.D, 70, 2014
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6ZRN
 | | Crystal structure of the RLIP76 Ral binding domain mutant (E427S/L429M/Q433L/K440R) in complex with RalB-GMPPNP | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D. | | Deposit date: | 2020-07-13 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
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