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3UDI
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BU of 3udi by Molmil
Crystal structure of Acinetobacter baumannii PBP1a in complex with penicillin G
分子名称: OPEN FORM - PENICILLIN G, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3UDF
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BU of 3udf by Molmil
Crystal structure of Apo PBP1a from Acinetobacter baumannii
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3UE0
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BU of 3ue0 by Molmil
Crystal structure of Acinetobacter baumannii PBP1a in complex with Aztreonam
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3UDX
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BU of 3udx by Molmil
Crystal structure of Acinetobacter baumannii PBP1a in complex with Imipenem
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 1a
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
2QLU
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BU of 2qlu by Molmil
Crystal structure of Activin receptor type II kinase domain from human
分子名称: ADENINE, Activin receptor type IIB, SULFATE ION
著者Han, S.
登録日2007-07-13
公開日2007-11-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of activin receptor type IIB kinase domain from human at 2.0 Angstrom resolution
Protein Sci., 16, 2007
1G24
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BU of 1g24 by Molmil
THE CRYSTAL STRUCTURE OF EXOENZYME C3 FROM CLOSTRIDIUM BOTULINUM
分子名称: EXOENZYME C3
著者Han, S, Arvai, A.S, Clancy, S.B, Tainer, J.A.
登録日2000-10-16
公開日2000-12-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure and novel recognition motif of rho ADP-ribosylating C3 exoenzyme from Clostridium botulinum: structural insights for recognition specificity and catalysis.
J.Mol.Biol., 305, 2001
1HAN
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BU of 1han by Molmil
CRYSTAL STRUCTURE OF THE BIPHENYL-CLEAVING EXTRADIOL DIOXYGENASE FROM A PCB-DEGRADING PSEUDOMONAD
分子名称: 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, FE (III) ION, TERTIARY-BUTYL ALCOHOL
著者Han, S, Bolin, J.T.
登録日1995-08-30
公開日1995-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the biphenyl-cleaving extradiol dioxygenase from a PCB-degrading pseudomonad.
Science, 270, 1995
1QS2
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BU of 1qs2 by Molmil
CRYSTAL STRUCTURE OF VIP2 WITH NAD
分子名称: ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A.
登録日1999-06-25
公開日1999-12-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex.
Nat.Struct.Biol., 6, 1999
1QS1
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BU of 1qs1 by Molmil
CRYSTAL STRUCTURE OF VEGETATIVE INSECTICIDAL PROTEIN2 (VIP2)
分子名称: ADP-RIBOSYLTRANSFERASE
著者Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A.
登録日1999-06-25
公開日1999-12-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex.
Nat.Struct.Biol., 6, 1999
3JSL
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BU of 3jsl by Molmil
Crystal structure of the adenylation domain of NAD+-dependent DNA ligase from Staphylococcus aureus
分子名称: DNA ligase, SULFATE ION
著者Han, S, Chang, J.S, Griffor, M.
登録日2009-09-10
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the adenylation domain of NAD(+)-dependent DNA ligase from Staphylococcus aureus.
Acta Crystallogr.,Sect.F, 65, 2009
3JSN
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BU of 3jsn by Molmil
Crystal structure of the adenylation domain of NAD+-dependent DNA ligase from Staphylococcus aureus
分子名称: DNA ligase
著者Han, S, Chang, J.S, Griffor, M.
登録日2009-09-10
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the adenylation domain of NAD(+)-dependent DNA ligase from Staphylococcus aureus.
Acta Crystallogr.,Sect.F, 65, 2009
5GWO
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BU of 5gwo by Molmil
Crystal structure of RCAR3:PP2C S265F/I267M with (+)-ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Han, S, Lee, S.
登録日2016-09-12
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.816 Å)
主引用文献Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
5GWP
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BU of 5gwp by Molmil
Crystal structure of RCAR3:PP2C wild-type with (+)-ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Han, S, Lee, S.
登録日2016-09-12
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.577 Å)
主引用文献Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
2H29
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BU of 2h29 by Molmil
Crystal structure of Nicotinic acid mononucleotide Adenylyltransferase from Staphylococcus aureus: product bound form 1
分子名称: NICOTINIC ACID ADENINE DINUCLEOTIDE, Probable nicotinate-nucleotide adenylyltransferase
著者Han, S.
登録日2006-05-18
公開日2006-08-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
4M13
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BU of 4m13 by Molmil
Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
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BU of 4m12 by Molmil
Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
2H2A
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BU of 2h2a by Molmil
Crystal structure of Nicotinic acid mononucleotide adenylyltransferase from Staphylococcus aureus: product bound form 2
分子名称: CALCIUM ION, GLYCEROL, NICOTINIC ACID ADENINE DINUCLEOTIDE, ...
著者Han, S.
登録日2006-05-18
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
4M0Z
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BU of 4m0z by Molmil
Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
分子名称: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
3PBO
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BU of 3pbo by Molmil
Crystal structure of PBP3 complexed with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Penicillin-binding protein 3
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PBT
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BU of 3pbt by Molmil
Crystal structure of PBP3 complexed with MC-1
分子名称: (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate, Penicillin-binding protein 3
著者Han, S, Evdokimov, A.
登録日2010-10-20
公開日2010-12-22
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
5ZCU
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BU of 5zcu by Molmil
Crystal structure of RCAR3:PP2C wild-type with pyrabactin
分子名称: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, ABA receptor RCAR3, MAGNESIUM ION, ...
著者Han, S, Lee, Y, Lee, S.
登録日2018-02-20
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.413 Å)
主引用文献Structural determinants for pyrabactin recognition in ABA receptors in Oryza sativa.
Plant Mol.Biol., 100, 2019
3FZP
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BU of 3fzp by Molmil
Crystal structure of PYK2 complexed with ATPgS
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009

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