1W2O
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![BU of 1w2o by Molmil](/molmil-images/mine/1w2o) | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, DEACETOXYCEPHALOSPORIN-C, FE (III) ION | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | Deposit date: | 2004-07-07 | Release date: | 2004-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol., 343, 2004
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6DPY
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![BU of 6dpy by Molmil](/molmil-images/mine/6dpy) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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6DXH
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![BU of 6dxh by Molmil](/molmil-images/mine/6dxh) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-tert-butylphenyl)-4-oxobutanoate | Descriptor: | 4-(4-tert-butylphenyl)-4-oxobutanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ... | Authors: | Harding, R.J, Mann, M.K, Ravichandran, M, Ferreira de Freitas, R, Franzoni, I, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Schapira, M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-28 | Release date: | 2018-07-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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6DXT
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![BU of 6dxt by Molmil](/molmil-images/mine/6dxt) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate | Descriptor: | 1,2-ETHANEDIOL, 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid, UNKNOWN ATOM OR ION, ... | Authors: | Mann, M.K, Harding, R.J, Ravichandran, M, Ferreira de Freitas, R, Franzoni, I, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Schapira, M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-29 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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6MGS
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![BU of 6mgs by Molmil](/molmil-images/mine/6mgs) | Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase with Space Group of C2221 | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION | Authors: | Yang, Y, Davis, I, Matsui, T, Rubalcava, I, Liu, A. | Deposit date: | 2018-09-14 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.131 Å) | Cite: | Quaternary structure of alpha-amino-beta-carboxymuconate-ε-semialdehyde decarboxylase (ACMSD) controls its activity. J.Biol.Chem., 294, 2019
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6OCP
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![BU of 6ocp by Molmil](/molmil-images/mine/6ocp) | Crystal structure of a human GABAB receptor peptide bound to KCTD16 T1 | Descriptor: | BTB/POZ domain-containing protein KCTD16, Gamma-aminobutyric acid type B receptor subunit 2 | Authors: | Zuo, H, Glaaser, I, Zhao, Y, Kurinov, I, Mosyak, L, Wang, H, Liu, J, Park, J, Frangaj, A, Sturchler, E, Zhou, M, McDonald, P, Geng, Y, Slesinger, P.A, Fan, Q.R. | Deposit date: | 2019-03-25 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for auxiliary subunit KCTD16 regulation of the GABABreceptor. Proc.Natl.Acad.Sci.USA, 116, 2019
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2Y4V
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![BU of 2y4v by Molmil](/molmil-images/mine/2y4v) | |
2XWE
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![BU of 2xwe by Molmil](/molmil-images/mine/2xwe) | X-RAY STRUCTURE OF ACID-BETA-GLUCOSIDASE WITH 5N,6S-(N'-(N-OCTYL)IMINO)-6-THIONOJIRIMYCIN IN THE ACTIVE SITE | Descriptor: | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, GLUCOSYLCERAMIDASE, PHOSPHATE ION, ... | Authors: | Brumshtein, B, Aguilar-Moncayo, M, Benito, J.M, Ortiz Mellet, C, Garcia Fernandez, J.M, Silman, I, Shaaltiel, Y, Sussman, J.L, Futerman, A.H. | Deposit date: | 2010-11-02 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Cyclodextrin-Mediated Crystallization of Acid Beta-Glucosidase in Complex with Amphiphilic Bicyclic Nojirimycin Analogues. Org.Biomol.Chem., 9, 2011
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6WYJ
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![BU of 6wyj by Molmil](/molmil-images/mine/6wyj) | Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate state | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog | Authors: | Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M. | Deposit date: | 2020-05-13 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Glutamate transporters have a chloride channel with two hydrophobic gates. Nature, 591, 2021
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2Y3G
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![BU of 2y3g by Molmil](/molmil-images/mine/2y3g) | Se-Met form of Cupriavidus metallidurans CH34 CnrXs | Descriptor: | CHLORIDE ION, GLYCEROL, NICKEL AND COBALT RESISTANCE PROTEIN CNRR, ... | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | Deposit date: | 2010-12-20 | Release date: | 2011-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural Basis for Metal Sensing by Cnrx. J.Mol.Biol., 408, 2011
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6WZB
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![BU of 6wzb by Molmil](/molmil-images/mine/6wzb) | Crystal structure of the GltPh V216C-G388C mutant cross-linked with divalent mercury | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, MERCURY (II) ION, ... | Authors: | Chen, I, Font, J, Ryan, R. | Deposit date: | 2020-05-13 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Glutamate transporters have a chloride channel with two hydrophobic gates. Nature, 591, 2021
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6WYL
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![BU of 6wyl by Molmil](/molmil-images/mine/6wyl) | Cryo-EM structure of GltPh L152C-G351C mutant in the intermediate outward-facing state. | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog | Authors: | Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M. | Deposit date: | 2020-05-13 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Glutamate transporters have a chloride channel with two hydrophobic gates. Nature, 591, 2021
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2Y2C
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![BU of 2y2c by Molmil](/molmil-images/mine/2y2c) | crystal structure of AmpD Apoenzyme | Descriptor: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD | 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 (1.802 Å) | Cite: | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism. J.Biol.Chem., 286, 2011
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2Y0F
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![BU of 2y0f by Molmil](/molmil-images/mine/2y0f) | STRUCTURE OF GCPE (IspG) FROM THERMUS THERMOPHILUS HB27 | Descriptor: | 4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE, IRON/SULFUR CLUSTER | Authors: | Rekittke, I, Nonaka, T, Wiesner, J, Demmer, U, Warkentin, E, Jomaa, H, Ermler, U. | Deposit date: | 2010-12-02 | Release date: | 2011-01-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the E-1-Hydroxy-2-Methyl-But-2-Enyl-4-Diphosphate Synthase (Gcpe) from Thermus Thermophilus. FEBS Lett., 585, 2011
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6WYK
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![BU of 6wyk by Molmil](/molmil-images/mine/6wyk) | Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate chloride conducting state. | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog | Authors: | Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M. | Deposit date: | 2020-05-13 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Glutamate transporters have a chloride channel with two hydrophobic gates. Nature, 591, 2021
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6X01
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![BU of 6x01 by Molmil](/molmil-images/mine/6x01) | |
2Y28
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![BU of 2y28 by Molmil](/molmil-images/mine/2y28) | crystal structure of Se-Met AmpD derivative | 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: | 2011-12-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism. J.Biol.Chem., 286, 2011
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2Y3D
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![BU of 2y3d by Molmil](/molmil-images/mine/2y3d) | Zn-bound form of Cupriavidus metallidurans CH34 CnrXs | Descriptor: | CHLORIDE ION, NICKEL AND COBALT RESISTANCE PROTEIN CNRR, ZINC ION | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | Deposit date: | 2010-12-20 | Release date: | 2011-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Metal Sensing by Cnrx. J.Mol.Biol., 408, 2011
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2XQ7
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![BU of 2xq7 by Molmil](/molmil-images/mine/2xq7) | Pentameric ligand gated ion channel GLIC in complex with cadmium ion (Cd2+) | Descriptor: | CADMIUM ION, GLR4197 PROTEIN | 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 (3.4 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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2XQ3
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![BU of 2xq3 by Molmil](/molmil-images/mine/2xq3) | Pentameric ligand gated ion channel GLIC in complex with Br-lidocaine | Descriptor: | BROMIDE ION, GLR4197 PROTEIN | 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 (3.5 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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2Y2B
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![BU of 2y2b by Molmil](/molmil-images/mine/2y2b) | crystal structure of AmpD in complex with reaction products | Descriptor: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ... | 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: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism. J.Biol.Chem., 286, 2011
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2XFW
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![BU of 2xfw by Molmil](/molmil-images/mine/2xfw) | Structure of the E192N mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate in crystal form III | Descriptor: | N-ACETYLNEURAMINIC ACID LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID | Authors: | Campeotto, I, Murshudov, G.N, Bolt, A.H, Trinh, C.H, Phillips, S.E.V, Nelson, A, Pearson, A.R, Berry, A. | Deposit date: | 2010-05-28 | Release date: | 2010-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution. To be Published
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2XF1
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![BU of 2xf1 by Molmil](/molmil-images/mine/2xf1) | Crystal structure of Plasmodium falciparum actin depolymerization factor 1 | Descriptor: | COFILIN ACTIN-DEPOLYMERIZING FACTOR HOMOLOG 1, SULFATE ION | Authors: | Singh, B.K, Sattler, J.M, Huttu, J, Chatterjee, M, Schueler, H, Kursula, I. | Deposit date: | 2010-05-20 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structures Explain Functional Differences in the Two Actin Depolymerization Factors of the Malaria Parasite. J.Biol.Chem., 286, 2011
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2XHI
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![BU of 2xhi by Molmil](/molmil-images/mine/2xhi) | Separation-of-function mutants unravel the dual reaction mode of human 8-oxoguanine DNA glycosylase | Descriptor: | 5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', CALCIUM ION, ... | Authors: | Dalhus, B, Forsbring, M, Helle, I.H, Backe, P.H, Forstrom, R.J, Alseth, I, Bjoras, M. | Deposit date: | 2010-06-16 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Separation-of-Function Mutants Unravel the Dual- Reaction Mode of Human 8-Oxoguanine DNA Glycosylase. Structure, 19, 2011
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2XBJ
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![BU of 2xbj by Molmil](/molmil-images/mine/2xbj) | Crystal Structure of Chk2 in complex with an inhibitor | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, NITRATE ION, ... | Authors: | Anderson, V.E, Walton, M.I, Eve, P.D, Caldwell, J.J, Pearl, L.H, Oliver, A.W, Collins, I, Garrett, M.D. | Deposit date: | 2010-04-12 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
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