4ABB
 
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4ABH
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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2HMM
 | | Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Anthracene | | Descriptor: | 1,2-ETHANEDIOL, ANTHRACENE, FE (III) ION, ... | | Authors: | Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S. | | Deposit date: | 2006-07-11 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
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8BXK
 | | Ntaya virus methyltransferase | | Descriptor: | Ntaya virus methyltransferase, SINEFUNGIN | | Authors: | Boura, E, Krafcikova, P. | | Deposit date: | 2022-12-09 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Ntaya virus methyltransferase
To Be Published
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2O6P
 | | Crystal Structure of the heme-IsdC complex | | Descriptor: | CHLORIDE ION, Iron-regulated surface determinant protein C, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Sharp, K.H, Schneider, S, Cockayne, A, Paoli, M. | | Deposit date: | 2006-12-08 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the heme-IsdC complex, the central conduit of the Isd iron/heme uptake system in Staphylococcus aureus.
J. Biol. Chem., 282, 2007
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1SUC
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2HML
 | | Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Phenanthrene. | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S. | | Deposit date: | 2006-07-11 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
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2HMO
 | | Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to 3-Nitrotoluene. | | Descriptor: | 1,2-ETHANEDIOL, 3-NITROTOLUENE, FE (III) ION, ... | | Authors: | Ferraro, D.J, Okerlund, A.L, Mowers, J.C, Ramaswamy, S. | | Deposit date: | 2006-07-11 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for regioselectivity and stereoselectivity of product formation by naphthalene 1,2-dioxygenase.
J.Bacteriol., 188, 2006
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3BT6
 | | Crystal Structure of Influenza B Virus Hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, Q, Cheng, F, Lu, M, Tian, X, Ma, J. | | Deposit date: | 2007-12-27 | | Release date: | 2008-05-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of unliganded influenza B virus hemagglutinin.
J.Virol., 82, 2008
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8CDB
 | | Proulilysin E229A structure | | Descriptor: | CALCIUM ION, Ulilysin, ZINC ION | | Authors: | Rodriguez-Banqueri, A, Eckhard, U, Gomis-Ruth, F.X. | | Deposit date: | 2023-01-30 | | Release date: | 2023-03-22 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases.
Dalton Trans, 52, 2023
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8CEV
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO1119 | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | | Authors: | Klima, M, Silhan, J, Boura, E. | | Deposit date: | 2023-02-02 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
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2GST
 | | STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE | | Descriptor: | GLUTATHIONE S-TRANSFERASE, L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, SULFATE ION | | Authors: | Ji, X, Armstrong, R.N, Gilliland, G.L. | | Deposit date: | 1993-06-07 | | Release date: | 1993-10-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene.
Biochemistry, 33, 1994
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1OAP
 | | Mad structure of the periplasmique domain of the Escherichia coli PAL protein | | Descriptor: | PEPTIDOGLYCAN-ASSOCIATED LIPOPROTEIN, SULFATE ION | | Authors: | Abergel, C, Walburger, A, Bouveret, E, Claverie, J.M. | | Deposit date: | 2003-01-20 | | Release date: | 2004-02-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystallization and preliminary crystallographic study of the peptidoglycan-associated lipoprotein from Escherichia coli.
Acta Crystallogr.,Sect.D, 57, 2001
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8CER
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO494 | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | | Authors: | Klima, M, Silhan, J, Boura, E. | | Deposit date: | 2023-02-02 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
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8CEQ
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO427 | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | | Authors: | Klima, M, Silhan, J, Boura, E. | | Deposit date: | 2023-02-02 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
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8CES
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO500 | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | | Authors: | Klima, M, Silhan, J, Boura, E. | | Deposit date: | 2023-02-02 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
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8CET
 | | Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO507 | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | | Authors: | Klima, M, Silhan, J, Boura, E. | | Deposit date: | 2023-02-02 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
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2GUY
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2HFF
 | | Crystal structure of CB2 Fab | | Descriptor: | CB2 Fab, heavy chain, light chain | | Authors: | Hymowitz, S.G. | | Deposit date: | 2006-06-23 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Synthetic anti-BR3 antibodies that mimic BAFF binding and target both human and murine B cells.
Blood, 108, 2006
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1QJF
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX) | | Descriptor: | 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-23 | | Release date: | 2000-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
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4A7N
 | | Structure of bare F-actin filaments obtained from the same sample as the Actin-Tropomyosin-Myosin Complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, F-ACTIN | | Authors: | Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-08-01 | | Last modified: | 2017-08-30 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Structure of the Rigor Actin-Tropomyosin-Myosin Complex.
Cell(Cambridge,Mass.), 150, 2012
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3BO1
 | | Ribosome-SecY complex | | Descriptor: | 23S RIBOSOMAL RNA, PREPROTEIN TRANSLOCASE SecE SUBUNIT, PREPROTEIN TRANSLOCASE SecY SUBUNIT, ... | | Authors: | Akey, C.W, Menetret, J.F. | | Deposit date: | 2007-12-15 | | Release date: | 2008-12-09 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (9.6 Å) | | Cite: | Ribosome binding of a single copy of the SecY complex: implications for protein translocation
Mol.Cell, 28, 2007
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8C9K
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1V5I
 | | Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN' | | Descriptor: | CALCIUM ION, GLYCEROL, IA-1=serine proteinase inhibitor, ... | | Authors: | Lee, W.C, Kikkawa, M, Kojima, S, Miura, K, Tanokura, M. | | Deposit date: | 2003-11-24 | | Release date: | 2005-03-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN'
To be Published
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4A7H
 | | Structure of the Actin-Tropomyosin-Myosin Complex (rigor ATM 2) | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-08-01 | | Last modified: | 2017-08-30 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Structure of the Rigor Actin-Tropomyosin-Myosin Complex.
Cell(Cambridge,Mass.), 150, 2012
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