3OIL
 
 | | Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate | | Descriptor: | (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, ZINC ION | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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4GU8
 | | Crystal Structure of Burkholderia oklahomensis agglutinin (BOA) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Burkholderia oklahomensis agglutinin (BOA), GLYCEROL | | Authors: | Whitley, M.J, Furey, W, Gronenborn, A.M. | | Deposit date: | 2012-08-29 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Burkholderia oklahomensis agglutinin is a canonical two-domain OAA-family lectin: structures, carbohydrate binding and anti-HIV activity.
Febs J., 280, 2013
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2EUT
 | | Cytochrome c peroxidase (CCP) in complex with 2-amino-4-picoline | | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase | | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | | Deposit date: | 2005-10-29 | | Release date: | 2006-04-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
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2HYS
 | | Crystal structure of nitrophorin 2 complexed with cyanide | | Descriptor: | CYANIDE ION, Nitrophorin-2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Weichsel, A, Montfort, W.R. | | Deposit date: | 2006-08-07 | | Release date: | 2006-10-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Assignment of the Ferriheme Resonances of the Low-Spin Complexes of Nitrophorins 1 and 4 by (1)H and (13)C NMR Spectroscopy: Comparison to Structural Data Obtained from X-ray Crystallography.
Inorg.Chem., 46, 2007
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9BKS
 | | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12 | | Authors: | Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
To be published
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2IFG
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2IJI
 | | Structure of F14H mutant of ColE1 Rom protein | | Descriptor: | Regulatory protein rop | | Authors: | Struble, E.B. | | Deposit date: | 2006-09-29 | | Release date: | 2007-10-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | New crystal structures of ColE1 Rom and variants resulting from mutation of a surface exposed residue: Implications for RNA-recognition.
Proteins, 72, 2008
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9BKR
 | | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION | | Authors: | Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
To be published
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2IN0
 | | crystal structure of Mtu recA intein splicing domain | | Descriptor: | Endonuclease PI-MtuI | | Authors: | Van Roey, P. | | Deposit date: | 2006-10-05 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic and mutational studies of Mycobacterium tuberculosis recA mini-inteins suggest a pivotal role for a highly conserved aspartate residue.
J.Mol.Biol., 367, 2007
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8TFX
 | | tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with 2',5'-ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-2'-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | | Deposit date: | 2023-07-12 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023
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1YAI
 | | X-RAY STRUCTURE OF A BACTERIAL COPPER,ZINC SUPEROXIDE DISMUTASE | | Descriptor: | COPPER (II) ION, COPPER, ZINC SUPEROXIDE DISMUTASE, ... | | Authors: | Bourne, Y, Redford, S.M, Lo, T.P, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 1996-02-03 | | Release date: | 1997-08-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel dimeric interface and electrostatic recognition in bacterial Cu,Zn superoxide dismutase.
Proc.Natl.Acad.Sci.USA, 93, 1996
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9D9K
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7NVL
 | | Human TRiC complex in closed state with nanobody bound (Consensus Map) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | | Authors: | Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-03-15 | | Release date: | 2022-03-02 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022
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7NVN
 | | Human TRiC complex in closed state with nanobody and tubulin bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | | Authors: | Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W. | | Deposit date: | 2021-03-15 | | Release date: | 2022-03-02 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022
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7NVO
 | | Human TRiC complex in open state with nanobody bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | | Authors: | Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W. | | Deposit date: | 2021-03-15 | | Release date: | 2022-03-02 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022
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7NVM
 | | Human TRiC complex in closed state with nanobody Nb18, actin and PhLP2A bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Actin, ... | | Authors: | Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-03-15 | | Release date: | 2022-03-02 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022
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8FWQ
 | | Structure of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ... | | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | | Deposit date: | 2023-01-23 | | Release date: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023
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2IJH
 | | Crystal structure analysis of ColE1 ROM mutant F14W | | Descriptor: | Regulatory protein rop | | Authors: | Ladner, J.E. | | Deposit date: | 2006-09-29 | | Release date: | 2007-10-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | New crystal structures of ColE1 Rom and variants resulting from mutation of a surface exposed residue: Implications for RNA-recognition.
Proteins, 72, 2008
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1YBU
 | | Mycobacterium tuberculosis adenylyl cyclase Rv1900c CHD, in complex with a substrate analog. | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MANGANESE (II) ION, lipJ | | Authors: | Sinha, S.C, Wetterer, M, Sprang, S.R, Schultz, J.E, Linder, J.U. | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Origin of asymmetry in adenylyl cyclases: structures of Mycobacterium tuberculosis Rv1900c.
Embo J., 24, 2005
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2IV2
 | | Reinterpretation of reduced form of formate dehydrogenase H from E. coli | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase H, GUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER, ... | | Authors: | Raaijmakers, H.C.A, Romao, M.J. | | Deposit date: | 2006-06-08 | | Release date: | 2006-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Formate-Reduced E. Coli Formate Dehydrogenase H: The Reinterpretation of the Crystal Structure Suggests a New Reaction Mechanism.
J.Biol.Inorg.Chem., 11, 2006
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7O70
 | | KRasG12C ligand complex | | Descriptor: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | | Authors: | Phillips, C. | | Deposit date: | 2021-04-12 | | Release date: | 2022-04-20 | | Last modified: | 2022-05-25 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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7O83
 | | KRasG12C ligand complex | | Descriptor: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Phillips, C, Breed, J. | | Deposit date: | 2021-04-14 | | Release date: | 2022-04-20 | | Last modified: | 2022-05-25 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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5ELO
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4X9Q
 | | MnSOD-3 Room Temperature Structure | | Descriptor: | MALONATE ION, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Hunter, G.J, Trinh, C.H, Hunter, T, Bonetta, R, Stewart, E.E. | | Deposit date: | 2014-12-11 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The structure of the Caenorhabditis elegans manganese superoxide dismutase MnSOD-3-azide complex.
Protein Sci., 24, 2015
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2WKY
 | | Crystal structure of the ligand-binding core of GluR5 in complex with the agonist 4-AHCP | | Descriptor: | 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ... | | Authors: | Naur, P, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2009-06-18 | | Release date: | 2009-07-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Glutamate Receptor Glur5 Agonist (S)-2-Amino-3-(3-Hydroxy-7,8-Dihydro-6H-Cyclohepta[D]Isoxazol-4-Yl)Propionic Acid and the 8-Methyl Analogue: Synthesis, Molecular Pharmacology, and Biostructural Characterization
J.Med.Chem., 52, 2009
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