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4KIB
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BU of 4kib by Molmil
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-homocysteine and methylphenylpyruvic acid
Descriptor: (2R)-2-hydroxy-3-phenylpropanoic acid, (3R)-2-oxo-3-phenylbutanoic acid, CALCIUM ION, ...
Authors:Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
Deposit date:2013-05-02
Release date:2014-05-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
4KIF
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BU of 4kif by Molmil
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with phenylpyruvic acid
Descriptor: (2R)-2-hydroxy-3-phenylpropanoic acid, 3-PHENYLPYRUVIC ACID, CALCIUM ION, ...
Authors:Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
Deposit date:2013-05-02
Release date:2014-05-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
4KIG
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BU of 4kig by Molmil
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with 4-hydroxyphenylpyruvic acid
Descriptor: (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, CALCIUM ION, ...
Authors:Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
Deposit date:2013-05-02
Release date:2014-05-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
2GQG
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BU of 2gqg by Molmil
X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain
Descriptor: GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Klei, H.E.
Deposit date:2006-04-20
Release date:2006-11-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain Elucidates Its Inhibitory Activity against Imatinib-Resistant ABL Mutants
CANCER RES., 66, 2006
7XQA
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BU of 7xqa by Molmil
Orf1-glycine complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-07
Release date:2023-05-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XYE
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BU of 7xye by Molmil
The apo structure of Orf1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-06-01
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.482 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XXC
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BU of 7xxc by Molmil
Orf1-glycine-glycylthricin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-29
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XXM
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BU of 7xxm by Molmil
Orf1-glycine-4-aminobutylthricin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-30
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XX0
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BU of 7xx0 by Molmil
C281S glycylthricin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XYL
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BU of 7xyl by Molmil
E426Q-glycine-glycylthricin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-06-01
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XXD
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BU of 7xxd by Molmil
Orf1-sarcosine complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase, SARCOSINE
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-29
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7Y0X
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BU of 7y0x by Molmil
Orf1-glycine complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-06-06
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XXR
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BU of 7xxr by Molmil
Orf1 R342A-glycylthricin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase, [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-30
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
7XXP
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BU of 7xxp by Molmil
F316A-glycine-streptothricin F complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ...
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-30
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
3SXR
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BU of 3sxr by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complex with dasatinib
Descriptor: Cytoplasmic tyrosine-protein kinase BMX, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION
Authors:Sack, J, Muckelbauer, J.
Deposit date:2011-07-15
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
3TU7
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BU of 3tu7 by Molmil
Human alpha-thrombin complexed with N-(methylsulfonyl)-D-phenylalanyl-N-((1-carbamimidoyl-4-piperidinyl)methyl)-l-prolinamide (BMS-189664)
Descriptor: Hirudin variant-2, N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide, Prothrombin
Authors:Malley, M, Sack, J.S.
Deposit date:2011-09-16
Release date:2011-10-12
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular design and structure-activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664.
Bioorg.Med.Chem.Lett., 12, 2002
3SXS
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BU of 3sxs by Molmil
Crystal structure of BMX non-receptor tyrosine kinase complexed with PP2
Descriptor: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Cytoplasmic tyrosine-protein kinase BMX
Authors:Sack, J, Muckelbauer, J.
Deposit date:2011-07-15
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-ray crystal structure of bone marrow kinase in the x chromosome: a Tec family kinase.
Chem.Biol.Drug Des., 78, 2011
3M6F
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BU of 3m6f by Molmil
CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID
Descriptor: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION
Authors:Sheriff, S.
Deposit date:2010-03-15
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
1IBG
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BU of 1ibg by Molmil
STRUCTURE AND SPECIFICITY OF THE ANTI-DIGOXIN ANTIBODY 40-50
Descriptor: COPPER (II) ION, IGG2B-KAPPA 40-50 FAB (HEAVY CHAIN), IGG2B-KAPPA 40-50 FAB (LIGHT CHAIN), ...
Authors:Jeffrey, P.D, Sheriff, S.
Deposit date:1994-10-25
Release date:1995-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and Specificity of the Anti-Digoxin Antibody 40-50
J.Mol.Biol., 248, 1995
1BQL
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BU of 1bql by Molmil
STRUCTURE OF AN ANTI-HEL FAB FRAGMENT COMPLEXED WITH BOBWHITE QUAIL LYSOZYME
Descriptor: BOBWHITE QUAIL LYSOZYME, HYHEL-5 FAB (HEAVY CHAIN), HYHEL-5 FAB (LIGHT CHAIN)
Authors:Chacko, S, Davies, D.R.
Deposit date:1995-02-03
Release date:1995-04-20
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
1BMN
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BU of 1bmn by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE (BMS-189090)
Descriptor: ALPHA-THROMBIN, HIRUDIN I, [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE
Authors:Malley, M, Sack, J.
Deposit date:1995-11-14
Release date:1996-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090.
Protein Sci., 5, 1996
1BMM
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BU of 1bmm by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-4-[(AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY-2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE (BMS-186282)
Descriptor: ALPHA-THROMBIN, HIRUDIN I, S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE
Authors:Malley, M, Sack, J.
Deposit date:1995-11-14
Release date:1996-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090.
Protein Sci., 5, 1996
1DKK
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BU of 1dkk by Molmil
BOBWHITE QUAIL LYSOZYME WITH NITRATE
Descriptor: LYSOZYME, NITRATE ION
Authors:Jeffrey, P.D, Sheriff, S.
Deposit date:1996-01-10
Release date:1996-07-11
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
1DKJ
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BU of 1dkj by Molmil
BOBWHITE QUAIL LYSOZYME
Descriptor: LYSOZYME
Authors:Jeffrey, P.D, Sheriff, S.
Deposit date:1996-01-10
Release date:1996-07-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
5XUF
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BU of 5xuf by Molmil
Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal I
Descriptor: 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-23
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018

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