2QAG
 
 | | Crystal structure of human septin trimer 2/6/7 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Septin-2, ... | | Authors: | Sirajuddin, M. | | Deposit date: | 2007-06-15 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structural insight into filament formation by mammalian septins.
Nature, 449, 2007
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2IEN
 | | Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2006-09-19 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
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2IEO
 | | Crystal structure analysis of HIV-1 protease mutant I84V with a potent non-peptide inhibitor (UIC-94017) | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Protease, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2006-09-19 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
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8OZN
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8OZQ
 | | In situ subtomogram average of Prototype Foamy Virus Env hexamer of trimers | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Calcraft, T, Nans, A, Rosenthal, P.B. | | Deposit date: | 2023-05-09 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 187, 2024
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8OZM
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8OZH
 | | In situ cryoEM structure of Prototype Foamy Virus Env trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Calcraft, T, Nans, A, Rosenthal, P.B. | | Deposit date: | 2023-05-09 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 187, 2024
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8OZJ
 | | In situ cryoEM structure of Prototype Foamy Virus Env dimer of trimers | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Calcraft, T, Nans, A, Rosenthal, P.B. | | Deposit date: | 2023-05-09 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 187, 2024
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8OZL
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8OZP
 | | In situ subtomogram average of Prototype Foamy Virus Env pentamer of trimers | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Calcraft, T, Nans, A, Rosenthal, P.B. | | Deposit date: | 2023-05-09 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (11.9 Å) | | Cite: | Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 187, 2024
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8OZK
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7PO7
 | | Phosphoglycolate phosphatase from Mus musculus | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Schloetzer, J, Schindelin, H, Fratz, S. | | Deposit date: | 2021-09-08 | | Release date: | 2022-12-21 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
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7POE
 | | Phosphoglycolate Phosphatase with Inhibitor CP1 | | Descriptor: | 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid, GLYCEROL, Glycerol-3-phosphate phosphatase, ... | | Authors: | Schloetzer, J, Fratz, S, Schindelin, H. | | Deposit date: | 2021-09-08 | | Release date: | 2022-12-21 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
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2IDW
 | | Crystal structure analysis of HIV-1 protease mutant V82A with a potent non-peptide inhibitor (UIC-94017) | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2006-09-15 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
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1DNA
 | | D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-06-25 | | Release date: | 1998-11-04 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
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2VSG
 | | A Structural Motif in the Variant Surface Glycoproteins of Trypanosoma Brucei | | Descriptor: | VARIANT SURFACE GLYCOPROTEIN ILTAT 1.24 | | Authors: | Blum, M.L, Down, J.A, Metcalf, P, Freymann, D.M, Wiley, D.C. | | Deposit date: | 1998-11-19 | | Release date: | 1998-11-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A structural motif in the variant surface glycoproteins of Trypanosoma brucei.
Nature, 362, 1993
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1TZE
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6G9P
 | | Structural basis for the inhibition of E. coli PBP2 | | Descriptor: | Peptidoglycan D,D-transpeptidase MrdA | | Authors: | Ruff, M, Levy, N. | | Deposit date: | 2018-04-11 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
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8RKQ
 | | Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with the molecular tweezer CLR01 | | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | | Authors: | Porfetye, A.T, Vetter, I.R. | | Deposit date: | 2023-12-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Molecules, 29, 2024
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8RKR
 | | Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer | | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol, BENZOIC ACID, Delta-1-pyrroline-5-carboxylate dehydrogenase, ... | | Authors: | Porfetye, A.T, Vetter, I.R. | | Deposit date: | 2023-12-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Molecules, 29, 2024
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5F35
 | | Structure of quinolinate synthase in complex with citrate | | Descriptor: | CITRATE ANION, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2015-12-02 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product.
J.Am.Chem.Soc., 138, 2016
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5F3D
 | | Structure of quinolinate synthase in complex with reaction intermediate W | | Descriptor: | 2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY HEXANOIC ACID, IRON/SULFUR CLUSTER, Quinolinate synthase A, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2015-12-02 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product.
J.Am.Chem.Soc., 138, 2016
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5F33
 | | Structure of quinolinate synthase in complex with phosphoglycolohydroxamate | | Descriptor: | IRON/SULFUR CLUSTER, PHOSPHOGLYCOLOHYDROXAMIC ACID, Quinolinate synthase A, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2015-12-02 | | Release date: | 2016-09-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product.
J.Am.Chem.Soc., 138, 2016
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6MPV
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4I8N
 | | CRYSTAL STRUCTURE of PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN INHIBITOR [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL)SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1, [(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid | | Authors: | Reddy, S.M.V.V.V, Rao, K.N, Subramanya, H. | | Deposit date: | 2012-12-03 | | Release date: | 2012-12-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-Ray Structure of PTP1B in Complex with a New PTP1B Inhibitor.
Protein Pept.Lett., 21, 2014
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