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4PMT
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BU of 4pmt by Molmil
The structure of TrkA kinase bound to the inhibitor N~4~-(4-morpholin-4-ylphenyl)-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
Descriptor: ACETATE ION, CHLORIDE ION, High affinity nerve growth factor receptor, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
5GPI
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BU of 5gpi by Molmil
Crystal Structures of Unlinked NS2B-NS3 Protease from Zika Virus and Its Complex with a Reverse Peptide Inhibitor
Descriptor: NS2B cofactor, NS3 protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2016-08-02
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
4PL0
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BU of 4pl0 by Molmil
Crystal structure of the antibacterial peptide ABC transporter McjD in an outward occluded state
Descriptor: MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Choudhury, H.G, Beis, K.
Deposit date:2014-05-15
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of an antibacterial peptide ATP-binding cassette transporter in a novel outward occluded state.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PMP
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BU of 4pmp by Molmil
The structure of TrkA kinase bound to the inhibitor 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
Descriptor: 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
2A4G
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BU of 2a4g by Molmil
Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound
Descriptor: ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ...
Authors:Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K.
Deposit date:2005-06-28
Release date:2006-07-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
2A4R
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BU of 2a4r by Molmil
HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.
Descriptor: NS3 protease/helicase, Ns4a peptide, ZINC ION, ...
Authors:Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V.
Deposit date:2005-06-29
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
2A4Q
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BU of 2a4q by Molmil
HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
Descriptor: (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ...
Authors:Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V.
Deposit date:2005-06-29
Release date:2006-07-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
4GDI
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BU of 4gdi by Molmil
A subtype N10 neuraminidase-like protein of A/little yellow-shouldered bat/Guatemala/164/2009
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2012-07-31
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
3PS2
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BU of 3ps2 by Molmil
Crystal structure of the Escherichia Coli LPXC/LPC-012 complex
Descriptor: 4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-11-30
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19, 2011
3QJ8
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BU of 3qj8 by Molmil
Crystal structure of fatty acid amide hydrolase
Descriptor: Fatty-acid amide hydrolase 1
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QKV
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BU of 3qkv by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule compound
Descriptor: (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol, Fatty-acid amide hydrolase 1
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-02-01
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QJ9
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BU of 3qj9 by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one, Fatty-acid amide hydrolase 1, ...
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
4GDJ
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BU of 4gdj by Molmil
A subtype N10 neuraminidase-like protein of A/little yellow-shouldered bat/Guatemala/060/2010
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2012-07-31
Release date:2012-09-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GEZ
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BU of 4gez by Molmil
Structure of a neuraminidase-like protein from A/bat/Guatemala/164/2009
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yang, H, Carney, P.J, Donis, R.O, Stevens, J.
Deposit date:2012-08-02
Release date:2012-09-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
7CV9
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BU of 7cv9 by Molmil
RNA methyltransferase METTL4
Descriptor: GLYCEROL, Methyltransferase-like protein 2, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CVA
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BU of 7cva by Molmil
RNA methyltransferase METTL4
Descriptor: Methyltransferase-like protein 2
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV7
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BU of 7cv7 by Molmil
RNA methyltransferase METTL4
Descriptor: Methyltransferase-like protein 2, S-ADENOSYLMETHIONINE
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV6
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BU of 7cv6 by Molmil
RNA methyltransferase METTL4
Descriptor: 2'-O-methyladenosine 5'-(dihydrogen phosphate), Methyltransferase-like protein 2, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV8
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BU of 7cv8 by Molmil
RNA methyltransferase METTL4
Descriptor: GLYCEROL, Methyltransferase-like protein 2, SINEFUNGIN
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
8HFA
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BU of 8hfa by Molmil
The structure of chitin deacetylase VdPDA1 from Verticillium dahliae
Descriptor: NodB homology domain-containing protein, ZINC ION
Authors:Liu, L, Zhou, Y, Yang, Q.
Deposit date:2022-11-10
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
5YF1
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BU of 5yf1 by Molmil
Crystal structure of CARNMT1 bound to carnosine and SFG
Descriptor: (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Cao, R, Li, H.
Deposit date:2017-09-20
Release date:2018-08-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
5YF0
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BU of 5yf0 by Molmil
Crystal structure of CARNMT1 bound to SAM
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Cao, R, Zhang, X, Li, H.
Deposit date:2017-09-20
Release date:2018-08-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
5YT6
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BU of 5yt6 by Molmil
Crystal structure of TAX1BP1 UBZ2 in complex with mono-ubiquitin
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Pan, L, Hu, S.
Deposit date:2017-11-17
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Mechanistic Insights into Recognitions of Ubiquitin and Myosin VI by Autophagy Receptor TAX1BP1.
J. Mol. Biol., 430, 2018
4IME
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BU of 4ime by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164A Mutant
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, N-acetylneuraminate lyase
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4IMD
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BU of 4imd by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase trapped with pyruvate covalently bound through a Schiff base to Lys164
Descriptor: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, PHOSPHATE ION
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013

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数据于2024-07-10公开中

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