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2MOQ
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BU of 2moq by Molmil
Solution Structure and Molecular determinants of Hemoglobin Binding of the first NEAT Domain of IsdB in Staphylococcus aureus
分子名称: Iron-regulated surface determinant protein B
著者Fonner, B.A, Tripet, B.P, Eilers, B.J, Stanisich, J, Sullivan-Springhetti, R.K, Moore, R, Lui, M, Lei, B, Copie, V.
登録日2014-04-29
公開日2014-07-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure and Molecular Determinants of Hemoglobin Binding of the First NEAT Domain of IsdB in Staphylococcus aureus.
Biochemistry, 53, 2014
1BKJ
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BU of 1bkj by Molmil
NADPH:FMN OXIDOREDUCTASE FROM VIBRIO HARVEYI
分子名称: FLAVIN MONONUCLEOTIDE, NADPH-FLAVIN OXIDOREDUCTASE, PHOSPHATE ION
著者Tanner, J.J, Lei, B, TU, S.-C, Krause, K.L.
登録日1998-07-08
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Flavin reductase P: structure of a dimeric enzyme that reduces flavin.
Biochemistry, 35, 1996
1N10
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BU of 1n10 by Molmil
Crystal Structure of Phl p 1, a Major Timothy Grass Pollen Allergen
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pollen allergen Phl p 1
著者Fedorov, A.A, Ball, T, Leistler, B, Valenta, R, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2002-10-16
公開日2003-01-28
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystal Structure of Phl p 1, a Major Timothy Grass Pollen Allergen
To be Published
7S3F
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BU of 7s3f by Molmil
Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with its inhibitor 1-amino-oxy-3-aminopropane
分子名称: 3-AMINOOXY-1-AMINOPROPANE, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K.
登録日2021-09-06
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane.
Biochem.J., 478, 2021
7S3G
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BU of 7s3g by Molmil
Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with citrate at the catalytic center
分子名称: CITRIC ACID, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K.
登録日2021-09-06
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane.
Biochem.J., 478, 2021
2WUH
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BU of 2wuh by Molmil
Crystal structure of the DDR2 discoidin domain bound to a triple- helical collagen peptide
分子名称: COLLAGEN PEPTIDE, DISCOIDIN DOMAIN RECEPTOR 2
著者Carafoli, F, Bihan, D, Stathopoulos, S, Konitsiotis, A.D, Kvansakul, M, Farndale, R.W, Leitinger, B, Hohenester, E.
登録日2009-10-05
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic Insight Into Collagen Recognition by Discoidin Domain Receptor 2
Structure, 17, 2009
6Q43
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BU of 6q43 by Molmil
Atomic resolution crystal structure of an ABA collagen heterotrimer
分子名称: GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-05
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
6Q3P
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BU of 6q3p by Molmil
Atomic resolution crystal structure of an AAB collagen heterotrimer
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Leading Chain of the AAB Collagen Heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-04
公開日2019-12-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
4AG4
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BU of 4ag4 by Molmil
Crystal structure of a DDR1-Fab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1, ...
著者Carafoli, F, Mayer, M.C, Shiraishi, K, Pecheva, M.A, Chan, L.Y, Nan, R, Leitinger, B, Hohenester, E.
登録日2012-01-24
公開日2012-04-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Discoidin Domain Receptor 1 Extracellular Region Bound to an Inhibitory Fab Fragment Reveals Features Important for Signaling.
Structure, 20, 2012
6Q41
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Atomic resolution crystal structure of a BAA collagen heterotrimer
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Leading chain of the BAA collagen heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-05
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
2LFB
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BU of 2lfb by Molmil
HOMEODOMAIN FROM RAT LIVER LFB1/HNF1 TRANSCRIPTION FACTOR, NMR, 20 STRUCTURES
分子名称: LFB1/HNF1 TRANSCRIPTION FACTOR
著者Schott, O, Billeter, M, Leiting, B, Wider, G, Wuthrich, K.
登録日1996-12-12
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The NMR solution structure of the non-classical homeodomain from the rat liver LFB1/HNF1 transcription factor.
J.Mol.Biol., 267, 1997
1X70
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BU of 1x70 by Molmil
HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kim, D, Wang, L, Beconi, M, Eiermann, G.J, Fisher, M.H, He, H, Hickey, G.J, Leiting, B, Lyons, K.
登録日2004-08-12
公開日2005-01-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献(2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
J.Med.Chem., 48, 2005
2LWB
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BU of 2lwb by Molmil
Structural model of BAD-1 repeat loop by NMR
分子名称: Adhesin WI-1
著者Brandhorst, T, Klein, B, Tonelli, M.
登録日2012-07-26
公開日2013-07-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure and function of a fungal adhesin that mimics thrombospondin-1 by binding heparin sulfate glycosaminoglycan and suppressing T cell activation via interaction with CD47
To be Published
1BLJ
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BU of 1blj by Molmil
NMR ENSEMBLE OF BLK SH2 DOMAIN, 20 STRUCTURES
分子名称: P55 BLK PROTEIN TYROSINE KINASE
著者Metzler, W.J, Leiting, B, Pryor, K, Mueller, L, Farmer II, B.T.
登録日1996-03-26
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The three-dimensional solution structure of the SH2 domain from p55blk kinase.
Biochemistry, 35, 1996
1BLK
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BU of 1blk by Molmil
NMR ENSEMBLE OF BLK SH2 DOMAIN USING CHEMICAL SHIFT REFINEMENT, 20 STRUCTURES
分子名称: P55 BLK PROTEIN TYROSINE KINASE
著者Metzler, W.J, Leiting, B, Pryor, K, Mueller, L, Farmer II, B.T.
登録日1996-03-26
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The three-dimensional solution structure of the SH2 domain from p55blk kinase.
Biochemistry, 35, 1996
6Y23
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BU of 6y23 by Molmil
DDR1 kinase autoinhibited by its juxtamembrane region
分子名称: Epithelial discoidin domain-containing receptor 1, SULFATE ION
著者Sammon, D, Hohenester, E, Leitinger, B.
登録日2020-02-14
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Two-step release of kinase autoinhibition in discoidin domain receptor 1.
Proc.Natl.Acad.Sci.USA, 117, 2020
2BKJ
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BU of 2bkj by Molmil
NADPH:FMN OXIDOREDUCTASE FROM VIBRIO HARVEYI COMPLEXED WITH NAD+
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tanner, J.J, TU, S.-C, Krause, K.L.
登録日1998-07-23
公開日1999-09-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Unusual folded conformation of nicotinamide adenine dinucleotide bound to flavin reductase P.
Protein Sci., 8, 1999
2Q7A
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BU of 2q7a by Molmil
Crystal structure of the cell surface heme transfer protein Shp
分子名称: Cell surface heme-binding protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Aranda IV, R, Worley, C.E, Bitto, E, Phillips Jr, G.N.
登録日2007-06-06
公開日2007-09-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bis-methionyl coordination in the crystal structure of the heme-binding domain of the streptococcal cell surface protein Shp.
J.Mol.Biol., 374, 2007
2LHR
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BU of 2lhr by Molmil
Solution structure of Staphylococcus aureus IsdH linker domain
分子名称: Iron-regulated surface determinant protein H
著者Spirig, T, Clubb, R.T, Malmirchegini, G.R, Robson, S.A.
登録日2011-08-12
公開日2012-11-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Staphylococcus aureus Uses a Novel Multidomain Receptor to Break Apart Human Hemoglobin and Steal Its Heme.
J.Biol.Chem., 288, 2013
3D4L
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BU of 3d4l by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a novel inhibitor
分子名称: 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, ...
著者Scapin, G.
登録日2008-05-14
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design.
Bioorg.Med.Chem.Lett., 18, 2008
2FJP
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BU of 2fjp by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ...
著者Scapin, G, Patel, S.B, Becker, J.W.
登録日2006-01-03
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
6T28
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BU of 6t28 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640)
分子名称: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
著者Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-08
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
6T29
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Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587)
分子名称: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
著者Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-08
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.484 Å)
主引用文献Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
2IIT
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BU of 2iit by Molmil
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T, Weber, A.E.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
1GG4
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CRYSTAL STRUCTURE OF ESCHERICHIA COLI UDPMURNAC-TRIPEPTIDE D-ALANYL-D-ALANINE-ADDING ENZYME (MURF) AT 2.3 ANGSTROM RESOLUTION
分子名称: UDP-N-ACETYLMURAMOYLALANYL-D-GLUTAMYL-2,6-DIAMINOPIMELATE-D-ALANYL-D-ALANYL LIGASE
著者Yan, Y, Munshi, S, Chen, Z.
登録日2000-07-12
公開日2000-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Escherichia coli UDPMurNAc-tripeptide d-alanyl-d-alanine-adding enzyme (MurF) at 2.3 A resolution.
J.Mol.Biol., 304, 2000

 

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