1QI1
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![BU of 1qi1 by Molmil](/molmil-images/mine/1qi1) | Ternary Complex of an NADP Dependent Aldehyde Dehydrogenase | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (NADP-DEPENDENT NONPHOSPHORYLATING GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE), ... | Authors: | Cobessi, D, Tete-Favier, F, Marchal, S, Branlant, G, Aubry, A. | Deposit date: | 1999-06-02 | Release date: | 2001-01-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and biochemical investigations of the catalytic mechanism of an NADP-dependent aldehyde dehydrogenase from Streptococcus mutans. J.Mol.Biol., 300, 2000
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2UY6
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![BU of 2uy6 by Molmil](/molmil-images/mine/2uy6) | Crystal structure of the P pilus rod subunit PapA | Descriptor: | PAP FIMBRIAL MAJOR PILIN PROTEIN, PERIPLASMID CHAPERONE PAPD PROTEIN | Authors: | Verger, D, Bullitt, E, Hultgren, S.J, Waksman, G. | Deposit date: | 2007-04-02 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the P Pilus Rod Subunit Papa. Plos Pathog., 3, 2007
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2VKG
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![BU of 2vkg by Molmil](/molmil-images/mine/2vkg) | COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS | Descriptor: | CHLORIDE ION, DODECIN, MAGNESIUM ION, ... | Authors: | Grininger, M, Noell, G, Trawoeger, S, Sinner, E, Oesterhelt, D. | Deposit date: | 2007-12-19 | Release date: | 2008-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Electrochemical Switching of the Flavoprotein Dodecin at Gold Surfaces Modified by Flavin-DNA Hybrid Linkers Biointerphases, 3, 2008
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7JZL
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![BU of 7jzl by Molmil](/molmil-images/mine/7jzl) | |
2XP4
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![BU of 2xp4 by Molmil](/molmil-images/mine/2xp4) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 2-phenyl-1H-imidazole-4-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XRO
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![BU of 2xro by Molmil](/molmil-images/mine/2xro) | Crystal structure of TtgV in complex with its DNA operator | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGV, OSMIUM ION, TTGV OPERATOR DNA | Authors: | Lu, D, Fillet, S, Meng, C, Alguel, Y, Kloppsteck, P, Bergeron, J, Krell, T, Gallegos, M.-T, Ramos, J, Zhang, X. | Deposit date: | 2010-09-17 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal Structure of Ttgv in Complex with its DNA Operator Reveals a General Model for Cooperative DNA Binding of Tetrameric Gene Regulators. Genes Dev., 24, 2010
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1OAX
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![BU of 1oax by Molmil](/molmil-images/mine/1oax) | |
1OAZ
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![BU of 1oaz by Molmil](/molmil-images/mine/1oaz) | |
2L6E
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![BU of 2l6e by Molmil](/molmil-images/mine/2l6e) | NMR Structure of the monomeric mutant C-terminal domain of HIV-1 Capsid in complex with stapled peptide Inhibitor | Descriptor: | Capsid protein p24, NYAD-13 stapled peptide inhibitor | Authors: | Bhattacharya, S, Zhang, H, Debnath, A.K, Cowburn, D. | Deposit date: | 2010-11-18 | Release date: | 2010-12-29 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a hydrocarbon stapled peptide inhibitor in complex with monomeric C-terminal domain of HIV-1 capsid. J.Biol.Chem., 283, 2008
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2Y2D
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![BU of 2y2d by Molmil](/molmil-images/mine/2y2d) | crystal structure of AmpD holoenzyme | Descriptor: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, ZINC ION | Authors: | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | Deposit date: | 2010-12-14 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism. J.Biol.Chem., 286, 2011
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1NN5
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![BU of 1nn5 by Molmil](/molmil-images/mine/1nn5) | Crystal structure of human thymidylate kinase with d4TMP + AppNHp | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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2Y5A
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![BU of 2y5a by Molmil](/molmil-images/mine/2y5a) | Cytochrome c peroxidase (CCP) W191G bound to 3-aminopyridine | Descriptor: | 3-AMINOPYRIDINE, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | Authors: | Cappel, D, Wahlstrom, R, Brenk, R, Sotriffer, C.A. | Deposit date: | 2011-01-12 | Release date: | 2011-10-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site. J.Chem.Inf.Model, 51, 2011
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1NND
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![BU of 1nnd by Molmil](/molmil-images/mine/1nnd) | Arginine 116 is Essential for Nucleic Acid Recognition by the Fingers Domain of Moloney Murine Leukemia Virus Reverse Transcriptase | Descriptor: | Reverse Transcriptase | Authors: | Crowther, R.L, Remeta, D.P, Minetti, C.A, Das, D, Montano, S.P, Georgiadis, M.M. | Deposit date: | 2003-01-13 | Release date: | 2004-01-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and energetic characterization of nucleic acid-binding to the fingers domain of Moloney murine leukemia virus reverse transcriptase Proteins, 57, 2004
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1NN0
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![BU of 1nn0 by Molmil](/molmil-images/mine/1nn0) | Crystal structure of human thymidylate kinase with ddTMP and ADP | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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2XJ2
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![BU of 2xj2 by Molmil](/molmil-images/mine/2xj2) | Protein kinase Pim-1 in complex with small molecule inhibitor | Descriptor: | (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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2Y5T
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![BU of 2y5t by Molmil](/molmil-images/mine/2y5t) | Crystal structure of the pathogenic autoantibody CIIC1 in complex with the triple-helical C1 peptide | Descriptor: | C1, CHLORIDE ION, CIIC1 FAB FRAGMENT HEAVY CHAIN, ... | Authors: | Dobritzsch, D, Lindh, I, Schneider, N, Uysal, H, Nandakumar, K.S, Burkhardt, H, Schneider, G, Holmdahl, R. | Deposit date: | 2011-01-17 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of an Arthritogenic Anticollagen Immune Complex. Arthritis Rheum., 63, 2011
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2XJ0
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![BU of 2xj0 by Molmil](/molmil-images/mine/2xj0) | Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen | Descriptor: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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1NU1
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![BU of 1nu1 by Molmil](/molmil-images/mine/1nu1) | Crystal Structure of Mitochondrial Cytochrome bc1 Complexed with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO) | Descriptor: | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE, Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C.-A, Xia, D. | Deposit date: | 2003-01-30 | Release date: | 2003-10-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site Biochemistry, 42, 2003
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2XJ1
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![BU of 2xj1 by Molmil](/molmil-images/mine/2xj1) | Protein kinase Pim-1 in complex with small molecule inibitor | Descriptor: | (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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2Y0D
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![BU of 2y0d by Molmil](/molmil-images/mine/2y0d) | BceC mutation Y10K | Descriptor: | SULFATE ION, UDP-GLUCOSE DEHYDROGENASE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | Authors: | Rocha, J, Popescu, A.O, Borges, P, Mil-Homens, D, Sa-Correia, I, Fialho, A.M, Frazao, C. | Deposit date: | 2010-12-02 | Release date: | 2011-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Burkholderia Cepacia Udp-Glucose Dehydrogenase (Ugd) Bcec and Role of Tyr10 in Final Hydrolysis of Ugd Thioester Intermediate. J.Bacteriol., 193, 2011
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2XIZ
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![BU of 2xiz by Molmil](/molmil-images/mine/2xiz) | Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen | Descriptor: | (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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1NVV
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![BU of 1nvv by Molmil](/molmil-images/mine/1nvv) | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. | Deposit date: | 2003-02-04 | Release date: | 2003-04-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural evidence for feedback activation by RasGTP of the
Ras-specific nucleotide exchange factor SOS Cell(Cambridge,Mass.), 112, 2003
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2XIX
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![BU of 2xix by Molmil](/molmil-images/mine/2xix) | Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen | Descriptor: | 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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2Y1X
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![BU of 2y1x by Molmil](/molmil-images/mine/2y1x) | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | Descriptor: | CHLORIDE ION, HISTONE-ARGININE METHYLTRANSFERASE CARM1, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ... | Authors: | Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A. | Deposit date: | 2010-12-10 | Release date: | 2011-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors Biochem.J., 436, 2011
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2XQ8
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![BU of 2xq8 by Molmil](/molmil-images/mine/2xq8) | Pentameric ligand gated ion channel GLIC in complex with zinc ion (Zn2+) | Descriptor: | GLR4197 PROTEIN, ZINC ION | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | Deposit date: | 2010-09-01 | Release date: | 2010-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
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