8HTR
 
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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1I7D
 | | NONCOVALENT COMPLEX OF E.COLI DNA TOPOISOMERASE III WITH AN 8-BASE SINGLE-STRANDED DNA OLIGONUCLEOTIDE | | Descriptor: | 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA TOPOISOMERASE III, ... | | Authors: | Changela, A, DiGate, R.J, Mondragon, A. | | Deposit date: | 2001-03-08 | | Release date: | 2001-06-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of a complex of a type IA DNA topoisomerase with a single-stranded DNA molecule.
Nature, 411, 2001
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2CI2
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2C74
 | | 14-3-3 Protein Eta (Human) Complexed to Peptide | | Descriptor: | 14-3-3 PROTEIN ETA, CITRIC ACID, CONSENSUS PEPTIDE MODE 1 FOR 14-3-3 PROTEINS | | Authors: | Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A. | | Deposit date: | 2005-11-17 | | Release date: | 2005-12-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for protein-protein interactions in the 14-3-3 protein family.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
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8FY0
 | | E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL) | | Descriptor: | Bcl-2-like protein 1, CACODYLIC ACID, Elongin-B, ... | | Authors: | Olsen, S.K, Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D. | | Deposit date: | 2023-01-25 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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2BI2
 | | Radiation damage of the Schiff base in phosphoserine aminotransferase (structure C) | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Dubnovitsky, A.P, Ravelli, R.B.G, Popov, A.N, Papageorgiou, A.C. | | Deposit date: | 2005-01-20 | | Release date: | 2005-05-19 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Strain Relief at the Active Site of Phosphoserine Aminotransferase Induced by Radiation Damage.
Protein Sci., 14, 2005
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8FY1
 | | E3:PROTAC:target ternary complex structure (VCB/753b/BCL-2) | | Descriptor: | Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ... | | Authors: | Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K. | | Deposit date: | 2023-01-25 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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8FY2
 | | E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2) | | Descriptor: | Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ... | | Authors: | Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Ruben, E, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K. | | Deposit date: | 2023-01-25 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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2BNK
 | | The structure of phage phi29 replication organizer protein p16.7 | | Descriptor: | EARLY PROTEIN GP16.7 | | Authors: | Albert, A, Asensio, J.L, Munoz-Espin, D, Gonzalez, C, Hermoso, J.A, Villar, L, Jimenez-Barbero, J, Salas, M, Meijer, W.J.J. | | Deposit date: | 2005-03-28 | | Release date: | 2005-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the Functional Domain of {Varphi}29 Replication Organizer: Insights Into Oligomerization and DNA Binding.
J.Biol.Chem., 280, 2005
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1IAR
 | | INTERLEUKIN-4 / RECEPTOR ALPHA CHAIN COMPLEX | | Descriptor: | PROTEIN (INTERLEUKIN-4 RECEPTOR ALPHA CHAIN), PROTEIN (INTERLEUKIN-4) | | Authors: | Hage, T, Sebald, W, Reinemer, P. | | Deposit date: | 1999-02-25 | | Release date: | 2000-03-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the interleukin-4/receptor alpha chain complex reveals a mosaic binding interface.
Cell(Cambridge,Mass.), 97, 1999
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8FQ9
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2BF8
 | | Crystal structure of SUMO modified ubiquitin conjugating enzyme E2- 25K | | Descriptor: | UBIQUITIN-CONJUGATING ENZYME E2-25 KDA, UBIQUITIN-LIKE PROTEIN SMT3C | | Authors: | Pichler, A, Knipscheer, P, Oberhofer, E, Van Dijk, W.J, Korner, R, Velgaard Olsen, J, Jentsch, S, Melchior, F, Sixma, T.K. | | Deposit date: | 2004-12-06 | | Release date: | 2005-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sumo Imodification of the Ubiquitin Conjugating Enzyme E2-25K
Nat.Struct.Mol.Biol., 12, 2005
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8FRH
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2BWH
 | | Laue Structure of a Short Lived State of L29W Myoglobin | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Schmidt, M, Nienhaus, K, Pahl, R, Krasselt, A, Anderson, S, Parak, F, Nienhaus, G.U, Srajer, V. | | Deposit date: | 2005-07-14 | | Release date: | 2005-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ligand migration pathway and protein dynamics in myoglobin: a time-resolved crystallographic study on L29W MbCO.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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2C01
 | | Crystal Structures of Eosinophil-derived Neurotoxin in Complex with the Inhibitors 5'-ATP, Ap3A, Ap4A and Ap5A | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, NONSECRETORY RIBONUCLEASE | | Authors: | Baker, M.D, Holloway, D.E, Swaminathan, G.J, Acharya, K.R. | | Deposit date: | 2005-08-24 | | Release date: | 2006-01-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Crystal Structures of Eosinophil-Derived Neurotoxin (Edn) in Complex with the Inhibitors 5'- ATP, Ap(3)A, Ap(4)A, and Ap(5)A.
Biochemistry, 45, 2006
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8FSE
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8FTB
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1IAZ
 | | EQUINATOXIN II | | Descriptor: | EQUINATOXIN II, SULFATE ION | | Authors: | Athanasiadis, A, Anderluh, G, Macek, P, Turk, D. | | Deposit date: | 2001-03-24 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the soluble form of equinatoxin II, a pore-forming toxin from the sea anemone Actinia equina.
Structure, 9, 2001
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2BFG
 | | crystal structure of beta-xylosidase (fam GH39) in complex with dinitrophenyl-beta-xyloside and covalently bound xyloside | | Descriptor: | 2,5-DINITROPHENOL, BETA-XYLOSIDASE, SODIUM ION, ... | | Authors: | Czjzek, M, Bravman, T, Henrissat, B, Shoham, Y. | | Deposit date: | 2004-12-07 | | Release date: | 2005-10-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus.
J.Mol.Biol., 353, 2005
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2C4A
 | | Structure of Neuraminidase Subtype N9 Complexed with 30 MM Sialic Acid (NANA, NEU5AC), Crystal Soaked for 3 Hours at 291 K. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2005-10-17 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Crystal Structure of Influenza Type a Virus Neuraminidase of the N6 Subtype at 1.85 A Resolution
To be Published
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2BHJ
 | | murine iNO synthase with coumarin inhibitor | | Descriptor: | 7,8-DIHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mathieu, M, Guilloteau, J.P. | | Deposit date: | 2005-01-12 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design, Synthesis and Characterization of a Novel Class of Coumarin-Based Inhibitors of Inducible Nitric Oxide Synthase
Bioorg.Med.Chem., 13, 2005
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2BIE
 | | Radiation damage of the Schiff base in phosphoserine aminotransferase (structure H) | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Dubnovitsky, A.P, Ravelli, R.B.G, Popov, A.N, Papageorgiou, A.C. | | Deposit date: | 2005-01-21 | | Release date: | 2005-05-19 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Strain Relief at the Active Site of Phosphoserine Aminotransferase Induced by Radiation Damage.
Protein Sci., 14, 2005
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1I83
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE (H4B FREE) | | Descriptor: | ACETATE ION, GLYCEROL, N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Babu, B.R, Griffith, O.W, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 2001-03-12 | | Release date: | 2001-08-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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2BKQ
 | | NEDD8 protease | | Descriptor: | SENTRIN-SPECIFIC PROTEASE 8 | | Authors: | Shen, L.N, Liu, H, Dong, C, Xirodimas, D, Naismith, J.H, Hay, R.T. | | Deposit date: | 2005-02-18 | | Release date: | 2005-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of Nedd8 Ubiquitin Discrimination by the Deneddylating Enzyme Nedp1
Embo J., 24, 2005
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