7FSH
 
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z32367954 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FT1
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z2204875953 | | Descriptor: | (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole, 1,2-ETHANEDIOL, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FSK
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1954800564 | | Descriptor: | 1,2-ETHANEDIOL, 5-methoxy-1,3-benzothiazol-2-amine, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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3MB2
 | | Kinetic and Structural Characterization of a Heterohexamer 4-Oxalocrotonate Tautomerase from Chloroflexus aurantiacus J-10-fl: Implications for Functional and Structural Diversity in the Tautomerase Superfamily | | Descriptor: | 4-oxalocrotonate tautomerase family enzyme - alpha subunit, 4-oxalocrotonate tautomerase family enzyme - beta subunit, SULFATE ION | | Authors: | Burks, E.A, Fleming, C.D, Mesecar, A.D, Whitman, C.P, Pegan, S.D. | | Deposit date: | 2010-03-24 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Kinetic and structural characterization of a heterohexamer 4-oxalocrotonate tautomerase from Chloroflexus aurantiacus J-10-fl: implications for functional and structural diversity in the tautomerase superfamily
Biochemistry, 49, 2010
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1XFP
 | | Crystal structure of the CDR2 germline reversion mutant of cAb-Lys3 in complex with hen egg white lysozyme | | Descriptor: | FORMIC ACID, Lysozyme C, heavy chain antibody | | Authors: | De Genst, E, Handelberg, F, Van Meirhaeghe, A, Vynck, S, Loris, R, Wyns, L, Muyldermans, S. | | Deposit date: | 2004-09-15 | | Release date: | 2004-09-28 | | Last modified: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Chemical Basis for the Affinity Maturation of a Camel Single Domain Antibody
J.Biol.Chem., 279, 2004
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7FT8
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with NCL-00024671 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FSN
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z254580486 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FSL
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z730649594 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FT0
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z56767614 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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1CMA
 | | MET REPRESSOR/DNA COMPLEX + S-ADENOSYL-METHIONINE | | Descriptor: | DNA (5'-D(*AP*GP*AP*CP*GP*TP*CP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*AP*CP*GP*TP*CP*T)-3'), PROTEIN (MET REPRESSOR), ... | | Authors: | Somers, W.S, Phillips, S.E.V. | | Deposit date: | 1992-08-24 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the met repressor-operator complex at 2.8 A resolution reveals DNA recognition by beta-strands.
Nature, 359, 1992
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7FSX
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1328078283 | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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1MXO
 | | AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION | | Authors: | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | | Deposit date: | 2002-10-02 | | Release date: | 2003-03-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Nanomolar inhibitors of AmpC beta-lactamase.
J.Am.Chem.Soc., 125, 2003
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7FT5
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with POB0093 | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methoxyphenyl)oxane-4-carboxylic acid, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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7FSO
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z198195770 | | Descriptor: | 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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6BQV
 | | Human TRPM4 ion channel in lipid nanodiscs in a calcium-bound state | | Descriptor: | CALCIUM ION, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 4 | | Authors: | Autzen, H.E, Myasnikov, A.G, Campbell, M.G, Asarnow, D, Julius, D, Cheng, Y. | | Deposit date: | 2017-11-28 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the human TRPM4 ion channel in a lipid nanodisc.
Science, 359, 2018
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1CHD
 | | CHEB METHYLESTERASE DOMAIN | | Descriptor: | CHEB METHYLESTERASE | | Authors: | West, A.H, Martinez-Hackert, E, Stock, A.M. | | Deposit date: | 1995-03-09 | | Release date: | 1996-01-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the catalytic domain of the chemotaxis receptor methylesterase, CheB.
J.Mol.Biol., 250, 1995
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7FSQ
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1429867185 | | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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5FJB
 | | Cyclophilin A Stabilize HIV-1 Capsid through a Novel Non- canonical Binding Site | | Descriptor: | GAG POLYPROTEIN, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | | Authors: | Liu, C, Perilla, J.R, Ning, J, Lu, M, Hou, G, Ramalhu, R, Bedwell, G.J, Ahn, J, Shi, J, Gronenborn, A.M, Prevelige Jr, P.E, Rousso, I, Aiken, C, Polenova, T, Schulten, K, Zhang, P. | | Deposit date: | 2015-10-07 | | Release date: | 2016-03-16 | | Last modified: | 2017-08-23 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Cyclophilin a Stabilizes the HIV-1 Capsid Through a Novel Non-Canonical Binding Site.
Nat.Commun., 7, 2016
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5SB8
 | | Tubulin-maytansinoid-3-complex | | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | | Deposit date: | 2021-07-20 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
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7FSS
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z839706072 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, ALANINE, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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5SBD
 | | Tubulin-maytansinoid-5b-complex | | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | | Deposit date: | 2021-07-20 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
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5SBA
 | | Tubulin-maytansinoid-4b-complex | | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | | Deposit date: | 2021-07-20 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
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7JZV
 | | Cryo-EM structure of the BRCA1-UbcH5c/BARD1 E3-E2 module bound to a nucleosome | | Descriptor: | BRCA1,Ubiquitin-conjugating enzyme E2 D3, BRCA1-associated RING domain protein 1, Histone H2A type 2-A, ... | | Authors: | Witus, S.R, Burrell, A.L, Hansen, J.M, Farrell, D.P, Dimaio, F, Kollman, J.M, Klevit, R.E. | | Deposit date: | 2020-09-02 | | Release date: | 2021-02-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | BRCA1/BARD1 site-specific ubiquitylation of nucleosomal H2A is directed by BARD1.
Nat.Struct.Mol.Biol., 28, 2021
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1N1L
 | | CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X) | | Descriptor: | HCV NS3 SERINE PROTEASE, NS4A COFACTOR, ZINC ION, ... | | Authors: | Andrews, D.M, Chaignot, H, Coomber, B.A, Good, A.C, Hind, S.L, Jones, P.S, Mill, G, Robinson, J.E, Skarzynski, T, Slater, M.J, Somers, D.O.N. | | Deposit date: | 2002-10-18 | | Release date: | 2003-10-21 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pyrrolidine-5,5-trans-lactams. 2. The use of X-ray Crystal Structure Data in the Optimisation of P3 and P4 Substituents
Org.Lett., 4, 2002
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5SBE
 | | Tubulin-maytansinoid-5c-complex | | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | | Deposit date: | 2021-07-20 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
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