2OTF
 
 | | Crystal structure of the complex formed between phospholipase A2 and atenolol at 1.95 A resolution | | Descriptor: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Kumar, S, Singh, N, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P. | | Deposit date: | 2007-02-08 | | Release date: | 2007-02-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the complex formed between phospholipase A2 and atenolol at 1.95 A resolution
To be Published
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1L35
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1YZ2
 | | Solution structure of Am2766 | | Descriptor: | Delta-conotoxin Am 2766 | | Authors: | Sarma, S.P, Kumar, G.S, Sudarslal, S, Iengar, P, Sikdar, S.K, Krishnan, K.S, Balaram, P. | | Deposit date: | 2005-02-26 | | Release date: | 2006-02-07 | | Last modified: | 2019-11-06 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of delta-Am2766: A Highly Hydrophobic delta-Conotoxin from Conus amadis That Inhibits Inactivation of Neuronal Voltage-Gated Sodium Channels
CHEM.BIODIVERS., 2, 2005
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5XHH
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1UMA
 | | ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUDIN I, ... | | Authors: | Nardini, M, Pesce, A, Rizzi, M, Casale, E, Ferraccioli, R, Balliano, G, Milla, P, Ascenzi, P, Bolognesi, M. | | Deposit date: | 1996-03-26 | | Release date: | 1996-11-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study.
J.Mol.Biol., 258, 1996
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3HKB
 | | Tubulin: RB3 Stathmin-like domain complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | Deposit date: | 2009-05-23 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
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2OVH
 | | Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor SMRT | | Descriptor: | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, Progesterone receptor, SMRT peptide | | Authors: | Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P. | | Deposit date: | 2007-02-13 | | Release date: | 2007-03-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator.
Mol.Endocrinol., 21, 2007
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1A9U
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580 | | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAP KINASE P38 | | Authors: | Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-04-10 | | Release date: | 1999-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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4BCB
 | | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor | | Descriptor: | (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, GLYCEROL, PROLYL ENDOPEPTIDASE, ... | | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | | Deposit date: | 2012-10-01 | | Release date: | 2013-03-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy.
J.Med.Chem., 55, 2012
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5XKI
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2OVU
 | | Crystal structure of a lectin from Canavalia gladiata (CGL) in complex with man1-2man-OMe | | Descriptor: | CALCIUM ION, Canavalia gladiata lectin, MANGANESE (II) ION, ... | | Authors: | Moreno, F.B.M.B, Bezerra, G.A, de Oliveira, T.M, de Souza, E.P, da Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F. | | Deposit date: | 2007-02-15 | | Release date: | 2007-10-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
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7FSV
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1454310449 | | 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 (2.25 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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3MDZ
 | | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 | | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | | Authors: | Ugochukwu, E, Shafqat, N, Pilka, E, Chaikuad, A, Krojer, T, Muniz, J, Kim, J, Bray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Carpenter, E.P, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7
to be published
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1URK
 | | SOLUTION STRUCTURE OF THE AMINO TERMINAL FRAGMENT OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | PLASMINOGEN ACTIVATOR, alpha-L-fucopyranose | | Authors: | Hansen, A.P, Petros, A.M, Meadows, R.P, Nettesheim, D.G, Mazar, A.P, Olejniczak, E.T, Xu, R.X, Pederson, T.M, Henkin, J, Fesik, S.W. | | Deposit date: | 1994-01-10 | | Release date: | 1995-05-08 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the amino-terminal fragment of urokinase-type plasminogen activator.
Biochemistry, 33, 1994
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1A5C
 | | FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE FROM PLASMODIUM FALCIPARUM | | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE | | Authors: | Kim, H, Certa, U, Dobeli, H, Jakob, P, Hol, W.G.J. | | Deposit date: | 1998-02-13 | | Release date: | 1998-06-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of fructose-1,6-bisphosphate aldolase from the human malaria parasite Plasmodium falciparum.
Biochemistry, 37, 1998
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1ZD0
 | | Crystal structure of Pfu-542154 conserved hypothetical protein | | Descriptor: | MAGNESIUM ION, METHANOL, UNKNOWN ATOM OR ION, ... | | Authors: | Habel, J.E, Liu, Z.J, Horanyi, P.S, Florence, Q.J.T, Tempel, W, Zhou, W, Chen, L, Lee, D, Nguyen, J, Chang, S.H, Bereton, P, Izumi, M, Jenny Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2005-04-13 | | Release date: | 2005-05-17 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Pfu-542154 conserved hypothetical protein
To be Published
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2JEJ
 | | The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*CP*G)-3', 5'-D(*TP*CP*AP*C BZGP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | | Authors: | Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P. | | Deposit date: | 2007-01-17 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing.
J.Biol.Chem., 282, 2007
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2OW2
 | | MMP-9 active site mutant with difluoro butanoic acid inhibitor | | Descriptor: | (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | | Deposit date: | 2007-02-15 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
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7FT9
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z45636695 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(METHYLSULFONYL)AMINO]BENZOIC 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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3HKC
 | | Tubulin-ABT751: RB3 stathmin-like domain complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | Deposit date: | 2009-05-23 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
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6L9B
 | | X-ray structure of synthetic GB1 domain with mutations K10(DVA), T11A | | Descriptor: | Immunoglobulin G-binding protein G | | Authors: | Penmatsa, A, Chatterjee, J, Khatri, B, Majumder, P. | | Deposit date: | 2019-11-08 | | Release date: | 2020-08-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Increasing protein stability by engineering the n -> pi * interaction at the beta-turn.
Chem Sci, 11, 2020
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7FSJ
 | | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57744712 | | 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 (1.97 Å) | | Cite: | SDCBP PanDDA analysis group deposition
To Be Published
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1L0I
 | | Crystal structure of butyryl-ACP I62M mutant | | Descriptor: | Acyl carrier protein, CACODYLATE ION, SODIUM ION, ... | | Authors: | Roujeinikova, A, Baldock, C, Simon, W.J, Gilroy, J, Baker, P.J, Stuitje, A.R, Rice, D.W, Slabas, A.R, Rafferty, J.B. | | Deposit date: | 2002-02-11 | | Release date: | 2003-02-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | X-ray Crystallographic Studies on Butyryl-ACP Reveal Flexibility of the Structure around a Putative Acyl Chain Binding Site
Structure, 10, 2002
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3DAI
 | | Crystal structure of the bromodomain of the human ATAD2 | | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION | | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Fedorov, O, Roos, A.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-29 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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4MHG
 | | Crystal structure of ETV6 bound to a specific DNA sequence | | Descriptor: | Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6 | | Authors: | Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P. | | Deposit date: | 2013-08-29 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.
J.Mol.Biol., 426, 2014
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