3AIV
 
 | | Crystal structure of beta-glucosidase in rye complexed with an aglycone DIMBOA | | Descriptor: | 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, Beta-glucosidase | | Authors: | Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. | | Deposit date: | 2010-05-18 | | Release date: | 2011-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae
Plant Sci., 180, 2011
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2XB4
 | | Crystal structures of zinc containing Adenylate kinase from Desulfovibrio gigas | | Descriptor: | ADENYLATE KINASE, S,R MESO-TARTARIC ACID, ZINC ION | | Authors: | Mukhopadhyay, A, Kladova, A.V, Gavel, O.Y, Calvete, J.J, Shnyrov, V.L, Moura, I, Moura, J.J.G, Bursakov, S.A, Romao, M.J, Trincao, J. | | Deposit date: | 2010-04-05 | | Release date: | 2010-09-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Zinc-, Cobalt-, and Iron-Containing Adenylate Kinase from Desulfovibrio Gigas: A Novel Metal-Containing Adenylate Kinase from Gram-Negative Bacteria.
J.Biol.Inorg.Chem., 16, 2011
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1BIX
 | | THE CRYSTAL STRUCTURE OF THE HUMAN DNA REPAIR ENDONUCLEASE HAP1 SUGGESTS THE RECOGNITION OF EXTRA-HELICAL DEOXYRIBOSE AT DNA ABASIC SITES | | Descriptor: | AP ENDONUCLEASE 1, PLATINUM (II) ION, SAMARIUM (III) ION | | Authors: | Gorman, M.A, Morera, S, Rothwell, D.G, De La Fortelle, E, Mol, C.D, Tainer, J.A, Hickson, I.D, Freemont, P.S. | | Deposit date: | 1998-06-19 | | Release date: | 1999-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of the human DNA repair endonuclease HAP1 suggests the recognition of extra-helical deoxyribose at DNA abasic sites.
EMBO J., 16, 1997
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1BJO
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1BP6
 | | THYMIDYLATE SYNTHASE R23I, R179T DOUBLE MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R.J, Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 1998-08-13 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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8AI7
 | | Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol, ... | | Authors: | Brazzolotto, X, Meden, A, Knez, D, Gobec, S, Nachon, F. | | Deposit date: | 2022-07-25 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead.
Eur.J.Med.Chem., 247, 2023
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8THR
 | | Structure of the human vesicular monoamine transporter 2 (VMAT2) bound to tetrabenazine in an occluded conformation | | Descriptor: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, fluorescent protein mVenus,Synaptic vesicular amine transporter,GFP nano body,Synaptic vesicular amine transporter,Synaptic vesicular amine transporter | | Authors: | Dalton, M.P, Coleman, J.A. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural mechanisms for VMAT2 inhibition by tetrabenazine.
Elife, 12, 2024
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1BP0
 | | THYMIDYLATE SYNTHASE R23I MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-08-11 | | Release date: | 2000-01-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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8U4V
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8U6G
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-(2-(3-acryloyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethoxy)-4-chlorophenoxy)-5-chlorobenzonitrile (JLJ744), a non-nucleoside inhibitor | | Descriptor: | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Prucha, G, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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1BRR
 | | X-RAY STRUCTURE OF THE BACTERIORHODOPSIN TRIMER/LIPID COMPLEX | | Descriptor: | 3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL, 3-O-sulfo-beta-D-galactopyranose-(1-6)-alpha-D-mannopyranose-(1-2)-alpha-D-glucopyranose, GLYCEROL, ... | | Authors: | Essen, L.-O, Siegert, R, Oesterhelt, D. | | Deposit date: | 1998-07-28 | | Release date: | 1998-09-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Lipid patches in membrane protein oligomers: crystal structure of the bacteriorhodopsin-lipid complex
Proc.Natl.Acad.Sci.USA, 95, 1998
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8AY0
 | | Crystal Structure of the peptide binding protein DppE from Bacillus subtilis in complex with murein tripeptide | | Descriptor: | 1,2-ETHANEDIOL, Dipeptide-binding protein DppE, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ... | | Authors: | Hughes, A.M, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2022-09-01 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE.
Microbiology (Reading, Engl.), 168, 2022
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3B3P
 | | Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine, ... | | Authors: | Igarashi, J, Li, H, Poulos, T.L. | | Deposit date: | 2007-10-22 | | Release date: | 2008-11-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
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8U6B
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acrylamide (JLJ731), a non-nucleoside inhibitor | | Descriptor: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6P
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ754), a non-nucleoside inhibitor | | Descriptor: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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2WKG
 | | Nostoc punctiforme Debranching Enzyme (NPDE)(Native form) | | Descriptor: | ALPHA AMYLASE, CATALYTIC REGION | | Authors: | Dumbrepatil, A.B, Choi, J.H, Song, H.N, Park, K.H, Woo, E.J. | | Deposit date: | 2009-06-11 | | Release date: | 2009-09-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Features of the Nostoc Punctiforme Debranching Enzyme Reveal the Basis of its Mechanism and Substrate Specificity.
Proteins, 78, 2010
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8U6A
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (JLJ729), a non-nucleoside inhibitor | | Descriptor: | N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6O
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with5-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)-2-naphthonitrile (JLJ753), a non-nucleoside inhibitor | | Descriptor: | 5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8ARN
 | | Crystal structure of the peptide binding protein, OppA, from Bacillus subtilis in complex with an endogenous tetrapeptide | | Descriptor: | Endogenous tetrapeptide (SER-ASN-SER-SER), Oligopeptide-binding protein OppA | | Authors: | Hughes, A, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2022-08-17 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE.
Microbiology (Reading, Engl.), 168, 2022
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8U6Q
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)indolizine-2-carbonitrile (JLJ755), a non-nucleoside inhibitor | | Descriptor: | (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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2WM8
 | | Crystal structure of human magnesium-dependent phosphatase 1 of the haloacid dehalogenase superfamily (MGC5987) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM-DEPENDENT PHOSPHATASE 1 | | Authors: | Yue, W.W, Shafqat, N, Pike, A.C.W, Chaikuad, A, Bray, J.E, Pilka, E.W, Burgess-Brown, N, Hapka, E, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Human Magnesium-Dependent Phosphatase 1 of the Haloacid Dehalogenase Superfamily (Mgc5987)
To be Published
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2WH6
 | | Crystal structure of anti-apoptotic BHRF1 in complex with the Bim BH3 domain | | Descriptor: | BCL-2-LIKE PROTEIN 11, BROMIDE ION, EARLY ANTIGEN PROTEIN R, ... | | Authors: | Kvansakul, M, Huang, D.C.S, Colman, P.M. | | Deposit date: | 2009-05-01 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for apoptosis inhibition by Epstein-Barr virus BHRF1.
PLoS Pathog., 6, 2010
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1BUV
 | | CRYSTAL STRUCTURE OF THE MT1-MMP-TIMP-2 COMPLEX | | Descriptor: | CALCIUM ION, PROTEIN (MEMBRANE-TYPE MATRIX METALLOPROTEINASE (CDMT1-MMP)), PROTEIN (METALLOPROTEINASE INHIBITOR (TIMP-2)), ... | | Authors: | Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K. | | Deposit date: | 1998-09-07 | | Release date: | 1999-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor.
EMBO J., 17, 1998
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8B0F
 | | CryoEM structure of C5b8-CD59 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Bubeck, D, Couves, E.C, Gardner, S. | | Deposit date: | 2022-09-07 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
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1BU6
 | | CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION | | Descriptor: | GLYCEROL, PROTEIN (GLYCEROL KINASE), SULFATE ION | | Authors: | Feese, M.D, Faber, H.R, Bystrom, C.E, Pettigrew, D.W, Remington, S.J. | | Deposit date: | 1998-08-30 | | Release date: | 1998-09-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Glycerol kinase from Escherichia coli and an Ala65-->Thr mutant: the crystal structures reveal conformational changes with implications for allosteric regulation.
Structure, 6, 1998
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