2PN5
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![BU of 2pn5 by Molmil](/molmil-images/mine/2pn5) | Crystal Structure of TEP1r | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | Authors: | Baxter, R.H.G. | Deposit date: | 2007-04-23 | Release date: | 2007-07-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Structural basis for conserved complement factor-like function in the antimalarial protein TEP1 Proc.Natl.Acad.Sci.Usa, 104, 2007
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2PCA
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![BU of 2pca by Molmil](/molmil-images/mine/2pca) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION | Authors: | Sugahara, M, Taketa, M, Morikawa, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-29 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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1CA8
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![BU of 1ca8 by Molmil](/molmil-images/mine/1ca8) | Thrombin inhibitors with rigid tripeptidyl aldehydes | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-04-27 | Release date: | 1999-04-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes Biochemistry, 37, 1998
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2OYK
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![BU of 2oyk by Molmil](/molmil-images/mine/2oyk) | Endo-glycoceramidase II from Rhodococcus sp.: cellobiose-like isofagomine complex | Descriptor: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside, Endoglycoceramidase II, GLYCEROL, ... | Authors: | Caines, M.E.C, Strynadka, N.C.J. | Deposit date: | 2007-02-22 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The structural basis of glycosidase inhibition by five-membered iminocyclitols: the clan a glycoside hydrolase endoglycoceramidase as a model system. Angew.Chem.Int.Ed.Engl., 46, 2007
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2P99
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![BU of 2p99 by Molmil](/molmil-images/mine/2p99) | E. coli methionine aminopeptidase monometalated with inhibitor YE6 | Descriptor: | 5-(2-chlorophenyl)furan-2-carbohydrazide, MANGANESE (II) ION, Methionine aminopeptidase, ... | Authors: | Ye, Q. | Deposit date: | 2007-03-24 | Release date: | 2007-11-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibition of Monometalated Methionine Aminopeptidase: Inhibitor Discovery and Crystallographic Analysis. J.Med.Chem., 50, 2007
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1A7T
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![BU of 1a7t by Molmil](/molmil-images/mine/1a7t) | METALLO-BETA-LACTAMASE WITH MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, METALLO-BETA-LACTAMASE, SODIUM ION, ... | Authors: | Fitzgerald, P.M.D, Wu, J.K, Toney, J.H. | Deposit date: | 1998-03-17 | Release date: | 1998-06-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unanticipated inhibition of the metallo-beta-lactamase from Bacteroides fragilis by 4-morpholineethanesulfonic acid (MES): a crystallographic study at 1.85-A resolution. Biochemistry, 37, 1998
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2PJP
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![BU of 2pjp by Molmil](/molmil-images/mine/2pjp) | Structure of the mRNA-binding domain of elongation factor SelB from E.coli in complex with SECIS RNA | Descriptor: | CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Soler, N, Fourmy, D, Yoshizawa, S. | Deposit date: | 2007-04-16 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insight into a molecular switch in tandem winged-helix motifs from elongation factor SelB. J.Mol.Biol., 370, 2007
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1BB0
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![BU of 1bb0 by Molmil](/molmil-images/mine/1bb0) | THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-04-28 | Release date: | 1999-04-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry, 37, 1998
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2POC
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![BU of 2poc by Molmil](/molmil-images/mine/2poc) | The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, ACETATE ION, SODIUM ION, ... | Authors: | Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W. | Deposit date: | 2007-04-26 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans J.Mol.Biol., 372, 2007
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2Q6H
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![BU of 2q6h by Molmil](/molmil-images/mine/2q6h) | Crystal Structure Analysis of LeuT complexed with L-leucine, sodium, and clomipramine | Descriptor: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, LEUCINE, SODIUM ION, ... | Authors: | Singh, S.K, Yamashita, A, Gouaux, E. | Deposit date: | 2007-06-05 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Antidepressant binding site in a bacterial homologue of neurotransmitter transporters. Nature, 448, 2007
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1DKA
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![BU of 1dka by Molmil](/molmil-images/mine/1dka) | DIALKYLGLYCINE DECARBOXYLASE STRUCTURE: BIFUNCTIONAL ACTIVE SITE AND ALKALI METAL BINDING SITES | Descriptor: | 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, POTASSIUM ION, ... | Authors: | Toney, M.D, Hohenester, E, Jansonius, J.N. | Deposit date: | 1993-06-18 | Release date: | 1994-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dialkylglycine decarboxylase structure: bifunctional active site and alkali metal sites. Science, 261, 1993
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2QQU
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![BU of 2qqu by Molmil](/molmil-images/mine/2qqu) | Crystal structure of a cell-wall invertase (D239A) from Arabidopsis thaliana in complex with sucrose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ... | Authors: | Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W. | Deposit date: | 2007-07-27 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose. J.Mol.Biol., 377, 2008
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2QOE
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![BU of 2qoe by Molmil](/molmil-images/mine/2qoe) | Human Dipeptidyl Peptidase IV in complex with a Triazolopiperazine-based beta amino acid Inhibitor | Descriptor: | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2007-07-20 | Release date: | 2007-11-06 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, synthesis, and biological evaluation of triazolopiperazine-based beta-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2P8S
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![BU of 2p8s by Molmil](/molmil-images/mine/2p8s) | Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor | Descriptor: | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Biftu, T. | Deposit date: | 2007-03-23 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin Bioorg.Med.Chem.Lett., 17, 2007
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2PCG
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![BU of 2pcg by Molmil](/molmil-images/mine/2pcg) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION | Authors: | Sugahara, M, Taketa, M, Kageyama, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-29 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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2PCH
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![BU of 2pch by Molmil](/molmil-images/mine/2pch) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION | Authors: | Sugahara, M, Taketa, M, Ono, N, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-29 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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2QSV
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![BU of 2qsv by Molmil](/molmil-images/mine/2qsv) | Crystal structure of protein of unknown function from Porphyromonas gingivalis W83 | Descriptor: | SODIUM ION, SULFATE ION, Uncharacterized protein | Authors: | Binkowski, T.A, Duggan, E, Shui, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-07-31 | Release date: | 2007-09-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein of unknown function from Porphyromonas gingivalis W83. TO BE PUBLISHED
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2R22
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![BU of 2r22 by Molmil](/molmil-images/mine/2r22) | |
1D9I
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![BU of 1d9i by Molmil](/molmil-images/mine/1d9i) | STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTOPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 | Descriptor: | (5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Mochalkin, I, Arni, R, Tulinsky, A. | Deposit date: | 1999-10-27 | Release date: | 2000-10-30 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
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2OYL
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![BU of 2oyl by Molmil](/molmil-images/mine/2oyl) | Endo-glycoceramidase II from Rhodococcus sp.: cellobiose-like imidazole complex | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, Endoglycoceramidase II, GLYCEROL, ... | Authors: | Caines, M.E.C, Strynadka, N.C.J. | Deposit date: | 2007-02-22 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis of glycosidase inhibition by five-membered iminocyclitols: the clan a glycoside hydrolase endoglycoceramidase as a model system. Angew.Chem.Int.Ed.Engl., 46, 2007
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1CZ0
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![BU of 1cz0 by Molmil](/molmil-images/mine/1cz0) | INTRON ENCODED HOMING ENDONUCLEASE I-PPOI/DNA COMPLEX LACKING CATALYTIC METAL ION | Descriptor: | DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), INTRON-ENCODED HOMING ENDONUCLEASE I-PPOI, SODIUM ION, ... | Authors: | Galburt, E.A, Chevalier, B, Jurica, M.S, Flick, K.E, Stoddard, B.L. | Deposit date: | 1999-08-31 | Release date: | 1999-11-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A novel endonuclease mechanism directly visualized for I-PpoI. Nat.Struct.Biol., 6, 1999
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2OSY
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![BU of 2osy by Molmil](/molmil-images/mine/2osy) | |
2QT9
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![BU of 2qt9 by Molmil](/molmil-images/mine/2qt9) | Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor | Descriptor: | (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH EXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2007-08-01 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV. Bioorg.Med.Chem.Lett., 17, 2007
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2QJU
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![BU of 2qju by Molmil](/molmil-images/mine/2qju) | Crystal Structure of an NSS Homolog with Bound Antidepressant | Descriptor: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, LEUCINE, ... | Authors: | Zhou, Z, Karpowich, N.K, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2007-07-09 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake. Science, 317, 2007
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2QTB
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![BU of 2qtb by Molmil](/molmil-images/mine/2qtb) | Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor | Descriptor: | (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2007-08-01 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV. Bioorg.Med.Chem.Lett., 17, 2007
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