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1S1X
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BU of 1s1x by Molmil
Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase
Authors:Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
2JAV
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BU of 2jav by Molmil
Human Kinase with pyrrole-indolinone ligand
Descriptor: 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Pike, A.C.W, Rellos, P, Das, S, Fedorov, O, Papagrigoriou, E, Debreczeni, J.E, Turnbull, A.P, Gorrec, F, Bray, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-11-30
Release date:2006-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Regulation of the Human Nek2 Centrosomal Kinase
J.Biol.Chem., 282, 2007
2I0U
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BU of 2i0u by Molmil
Crystal structures of phospholipases A2 from Vipera nikolskii venom revealing Triton X-100 bound in hydrophobic channel
Descriptor: Basic subunit of heterodimer phospholipase A2, CALCIUM ION, FRAGMENT OF TRITON X-100, ...
Authors:Gao, W, Bi, R.C.
Deposit date:2006-08-11
Release date:2007-09-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of phospholipases A2 from Vipera nikolskii venom revealing Triton X-100 bound in hydrophobic channel
To be Published
1S1V
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BU of 1s1v by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651
Descriptor: 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, Reverse transcriptase
Authors:Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1T7B
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BU of 1t7b by Molmil
Crystal structure of mutant Lys8Gln of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-09
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
2I1T
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BU of 2i1t by Molmil
Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
Descriptor: Jingzhaotoxin-3
Authors:Liao, Z, Peng, K, Liang, S.
Deposit date:2006-08-15
Release date:2006-08-29
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
To be Published
1S1U
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BU of 1s1u by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase
Authors:Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1W
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BU of 1s1w by Molmil
Crystal structure of V106A mutant HIV-1 reverse transcriptase in complex with UC-781
Descriptor: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, Reverse transcriptase
Authors:Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1SEN
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BU of 1sen by Molmil
Endoplasmic reticulum protein Rp19 O95881
Descriptor: CHLORIDE ION, PLATINUM (II) ION, Thioredoxin-like protein p19
Authors:Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Lee, D, Dailey, T.A, Mayer, M.R, Rose, J.P, Richardson, D.C, Richardson, J.S, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-02-17
Release date:2004-07-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Endoplasmic reticulum protein Rp19
To be Published
7UKO
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BU of 7uko by Molmil
Integrin alaphIIBbeta3 complex with sibrafiban (Mn)
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
2J7T
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BU of 2j7t by Molmil
Crystal structure of human serine threonine kinase-10 bound to SU11274
Descriptor: (3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE, ACETATE ION, CALCIUM ION, ...
Authors:Pike, A.C.W, Rellos, P, Fedorov, O, Das, S, Debreczeni, J, Sobott, F, Watt, S, Savitsky, P, Eswaran, J, Turnbull, A.P, Papagrigoriou, E, Ugochukwa, E, Gorrec, F, Umeano, C.C, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
1OIZ
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BU of 1oiz by Molmil
The Molecular Basis of Vitamin E Retention: Structure of Human Alpha-Tocopherol Transfer Protein
Descriptor: ALPHA-TOCOPHEROL TRANSFER PROTEIN, FRAGMENT OF TRITON X-100
Authors:Meier, R, Tomizaki, T, Schulze-Briese, C, Baumann, U, Stocker, A.
Deposit date:2003-06-27
Release date:2004-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Molecular Basis of Vitamin E Retention: Structure of Human Alpha-Tocopherol Transfer Protein
J.Mol.Biol., 331, 2003
7WKL
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BU of 7wkl by Molmil
Crystal structure of dihydroxybenzoate decarboxylase mutant F296Y from Aspergillus oryzae in complex with catechol
Descriptor: Amidohydrolase 2, CATECHOL, MAGNESIUM ION, ...
Authors:Fan, Y, Xue, S.
Deposit date:2022-01-10
Release date:2023-01-25
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The catalytic mechanism of direction-dependent interactions for 2,3-dihydroxybenzoate decarboxylase
Appl.Microbiol.Biotechnol., 107, 2023
7WKM
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BU of 7wkm by Molmil
Crystal Structure of 2,3-Dihydroxybenzoate Decarboxylase Complexed with Catechol
Descriptor: Amidohydrolase 2, CATECHOL, MAGNESIUM ION
Authors:Fan, Y, Xue, S.
Deposit date:2022-01-10
Release date:2023-01-25
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The catalytic mechanism of direction-dependent interactions for 2,3-dihydroxybenzoate decarboxylase
Appl.Microbiol.Biotechnol., 107, 2023
7WMB
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BU of 7wmb by Molmil
Crystal structure of 2,3-dihydroxybenzoate decarboxylase mutant W23Y from Aspergillus oryzae in complex with catechol
Descriptor: Amidohydrolase 2, CATECHOL, MAGNESIUM ION
Authors:Fan, Y, Xue, S.
Deposit date:2022-01-14
Release date:2023-01-25
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The catalytic mechanism of direction-dependent interactions for 2,3-dihydroxybenzoate decarboxylase
Appl.Microbiol.Biotechnol., 107, 2023
7WJR
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BU of 7wjr by Molmil
Crystal structure of dihydroxybenzoate decarboxylase mutant A63S from Aspergillus oryzae in complex with catechol
Descriptor: 2,3-dihydroxybenzoate decarboxylase, CATECHOL, MAGNESIUM ION
Authors:Yan, F, Song, X.
Deposit date:2022-01-07
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism of reversible decarboxylase with efficient CO2 fixation
To Be Published
6HLB
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BU of 6hlb by Molmil
X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)4-Lys]-Arg-4-Amba
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Dahms, S.O.
Deposit date:2018-09-11
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin.
Chemmedchem, 14, 2019
6HLE
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BU of 6hle by Molmil
X-ray structure of furin in complex with the P6-P2-cyclized peptide H-Lys-Arg-Arg-Tle-Lys-4-Amba
Descriptor: 3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2018-09-11
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin.
Chemmedchem, 14, 2019
6HMA
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BU of 6hma by Molmil
Improved model derived from cryo-EM map of Staphylococcus aureus large ribosomal subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Eyal, Z, Cimicata, G, Matzov, D, Fox, T, de Val, N, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2018-09-12
Release date:2018-11-14
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Improved model derived from cryo-EM map of Staphylococcus aureus large ribosomal subunit
To Be Published
1G2V
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BU of 1g2v by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TTP COMPLEX.
Descriptor: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, THYMIDINE-5'-TRIPHOSPHATE
Authors:Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
Deposit date:2000-10-21
Release date:2000-12-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
3M3L
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BU of 3m3l by Molmil
PEPA bound to the ligand binding domain of GluA2 (flop form)
Descriptor: 2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Ptak, C.P, Ahmed, A.H, Oswald, R.E.
Deposit date:2010-03-09
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular mechanism of flop selectivity and subsite recognition for an AMPA receptor allosteric modulator: structures of GluA2 and GluA3 in complexes with PEPA.
Biochemistry, 49, 2010
1OUK
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BU of 1ouk by Molmil
The structure of p38 alpha in complex with a pyridinylimidazole inhibitor
Descriptor: 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-24
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
6HLD
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BU of 6hld by Molmil
X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)3-Lys]-Lys-4-Amba
Descriptor: ALN-ARG-ARG-ARG-SLL-LYS-00S, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2018-09-11
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin.
Chemmedchem, 14, 2019
1G3L
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BU of 1g3l by Molmil
THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). TDP-L-RHAMNOSE COMPLEX.
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, SULFATE ION
Authors:Blankenfeldt, W, Asuncion, M, Lam, J.S, Naismith, J.H.
Deposit date:2000-10-24
Release date:2000-12-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural basis of the catalytic mechanism and regulation of glucose-1-phosphate thymidylyltransferase (RmlA).
EMBO J., 19, 2000
1T7E
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BU of 1t7e by Molmil
Crystal structure of mutant Pro9Ser of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I, PHOSPHATE ION
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-09
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004

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