2QAI
 
 | | Crystal structure of the V-type ATP synthase subunit F from Pyrococcus furiosus. NESG target PfR7. | | Descriptor: | V-type ATP synthase subunit F | | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Ma, L.-C, Shih, L, Fang, Y, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-15 | | Release date: | 2007-06-26 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the V-type ATP synthase subunit F from Pyrococcus furiosus.
To be Published
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2QKK
 | | Human RNase H catalytic domain mutant D210N in complex with 14-mer RNA/DNA hybrid | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*G)-3', ... | | Authors: | Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W. | | Deposit date: | 2007-07-11 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription
Mol.Cell, 28, 2007
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5Y77
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2BP4
 | | Zinc-binding domain of Alzheimer's disease amyloid beta-peptide in TFE-water (80-20) solution | | Descriptor: | AMYLOID BETA A4 PROTEIN | | Authors: | Zirah, S, Kozin, S.A, Mazur, A.K, Blond, A, Cheminant, M, Segalas-Milazzo, I, Debey, P, Rebuffat, S. | | Deposit date: | 2005-04-18 | | Release date: | 2005-04-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Changes of Region 1-16 of the Alzheimer Disease Amyloid Beta-Peptide Upon Zinc Binding and in Vitro Aging.
J.Biol.Chem., 281, 2006
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2BMI
 | | METALLO-BETA-LACTAMASE | | Descriptor: | PROTEIN (CLASS B BETA-LACTAMASE), SODIUM ION, ZINC ION | | Authors: | Carfi, A, Duee, E, Dideberg, O. | | Deposit date: | 1998-09-17 | | Release date: | 1998-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of the ZnII beta-lactamase from Bacteroides fragilis in an orthorhombic crystal form.
Acta Crystallogr.,Sect.D, 54, 1998
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2BUB
 | | Crystal Structure Of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIPEPTIDYL PEPTIDASE 4, N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE | | Authors: | Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J. | | Deposit date: | 2005-06-09 | | Release date: | 2006-01-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.
Bioorg. Med. Chem. Lett., 16, 2006
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2BUA
 | | Crystal Structure Of Porcine Dipeptidyl Peptidase IV (Cd26) in Complex With a Low Molecular Weight Inhibitor. | | Descriptor: | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J. | | Deposit date: | 2005-06-09 | | Release date: | 2006-01-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.
Bioorg. Med. Chem. Lett., 16, 2006
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2CBY
 | | Crystal structure of the ATP-dependent Clp Protease proteolytic subunit 1 (ClpP1) from Mycobacterium tuberculosis | | Descriptor: | ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 | | Authors: | Mate, M.J, Portnoi, D, Alzari, P.M, Ortiz-Lombardia, M. | | Deposit date: | 2006-01-10 | | Release date: | 2006-01-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insights Into the Inter-Ring Plasticity of Caseinolytic Proteases from the X-Ray Structure of Mycobacterium Tuberculosis Clpp1.
Acta Crystallogr.,Sect.D, 63, 2007
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2RG6
 | | Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11J | | Descriptor: | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2007-10-02 | | Release date: | 2008-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
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2RGJ
 | | Crystal structure of flavin-containing monooxygenase PhzS | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase | | Authors: | Ladner, J.E, Parsons, J.F, Greenhagen, B.T, Robinson, H. | | Deposit date: | 2007-10-03 | | Release date: | 2008-05-20 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Pyocyanin Biosynthetic Protein PhzS.
Biochemistry, 47, 2008
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2RGU
 | | Crystal structure of complex of human DPP4 and inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, Dipeptidyl peptidase 4 | | Authors: | Nar, H, Himmelsbach, F, Eckhardt, M. | | Deposit date: | 2007-10-05 | | Release date: | 2007-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 8-(3-(R)-Aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a Highly Potent, Selective, Long-Acting, and Orally Bioavailable DPP-4 Inhibitor for the Treatment of Type 2 Diabetes.
J.Med.Chem., 50, 2007
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2RF4
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5Z0M
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2BL2
 | | The membrane rotor of the V-type ATPase from Enterococcus hirae | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, SODIUM ION, UNDECYL-MALTOSIDE, ... | | Authors: | Murata, T, Yamato, I, Kakinuma, Y, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 2005-02-25 | | Release date: | 2005-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Rotor of the Vacuolar-Type Na- ATPase from Enterococcus Hirae
Science, 308, 2005
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5Z7Z
 | | Crystal structure of Striga hermonthica Dwarf14 (ShD14) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dwarf 14, ... | | Authors: | Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M. | | Deposit date: | 2018-01-30 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
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2BGN
 | | HIV-1 Tat protein derived N-terminal nonapeptide Trp2-Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | | Deposit date: | 2005-01-03 | | Release date: | 2005-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26)
J.Biol.Chem., 280, 2005
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2SIC
 | | REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN' | | Authors: | Mitsui, Y, Takeuchi, Y, Hirono, S, Akagawa, H, Nakamura, K.T. | | Deposit date: | 1991-04-01 | | Release date: | 1993-04-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Refined crystal structure of the complex of subtilisin BPN' and Streptomyces subtilisin inhibitor at 1.8 A resolution.
J.Mol.Biol., 221, 1991
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2TOH
 | | TYROSINE HYDROXYLASE CATALYTIC AND TETRAMERIZATION DOMAINS FROM RAT | | Descriptor: | 7,8-DIHYDROBIOPTERIN, CHLORIDE ION, FE (III) ION, ... | | Authors: | Goodwill, K.E, Sabatier, C, Stevens, R.C. | | Deposit date: | 1998-08-26 | | Release date: | 1999-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of tyrosine hydroxylase with bound cofactor analogue and iron at 2.3 A resolution: self-hydroxylation of Phe300 and the pterin-binding site.
Biochemistry, 37, 1998
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5ZJ1
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2V5P
 | | COMPLEX STRUCTURE OF HUMAN IGF2R DOMAINS 11-13 BOUND TO IGF-II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, INSULIN-LIKE GROWTH FACTOR II, ... | | Authors: | Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y. | | Deposit date: | 2007-07-06 | | Release date: | 2007-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
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6A1F
 | | Crystal structure of human DYRK1A in complex with compound 14 | | Descriptor: | 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | Authors: | Baba, D, Hanzawa, H. | | Deposit date: | 2018-06-07 | | Release date: | 2018-10-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
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2BUC
 | | Crystal Structure Of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with a Tetrahydroisoquinoline Inhibitor | | Descriptor: | (S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J. | | Deposit date: | 2005-06-09 | | Release date: | 2006-01-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.
Bioorg. Med. Chem. Lett., 16, 2006
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6AUQ
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine | | Descriptor: | 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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2W13
 | | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | | Descriptor: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, ACETATE ION, GLYCEROL, ... | | Authors: | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | | Deposit date: | 2008-10-14 | | Release date: | 2009-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding.
Biochemistry, 48, 2009
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2W12
 | | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | | Descriptor: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, ZINC ION, ... | | Authors: | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | | Deposit date: | 2008-10-14 | | Release date: | 2009-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding.
Biochemistry, 48, 2009
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