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PDB: 12929 results

7JRE
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BU of 7jre by Molmil
Crystal structure of EV-D68 2A protease C107A mutant
Descriptor: Protease 2A, ZINC ION
Authors:Liu, C, Lee, M.-Y, Liu, W, Wang, J.
Deposit date:2020-08-12
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of EV-D68 2A protease C107A mutant
To Be Published
7K1D
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BU of 7k1d by Molmil
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_77291
Descriptor: (3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Liang, W.G, Deprez, R, Bosc, D, Tang, W.
Deposit date:2020-09-07
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 2
To Be Published
7K1F
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BU of 7k1f by Molmil
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88558
Descriptor: 1,4-DIETHYLENE DIOXIDE, 3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Liang, W.G, Deprez, R, Bosc, D, Tang, W.
Deposit date:2020-09-07
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 4
To Be Published
7K1E
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BU of 7k1e by Molmil
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88646
Descriptor: 1,4-DIETHYLENE DIOXIDE, 3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}ethyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Liang, W.G, Deprez, R, Bosc, D, Tang, W.
Deposit date:2020-09-07
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 3
To Be Published
7K59
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BU of 7k59 by Molmil
Structure of apo VCP hexamer generated from bacterially recombinant VCP/p97
Descriptor: Transitional endoplasmic reticulum ATPase
Authors:Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
Deposit date:2020-09-16
Release date:2021-10-13
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7K56
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BU of 7k56 by Molmil
Structure of VCP dodecamer purified from H1299 cells
Descriptor: Transitional endoplasmic reticulum ATPase
Authors:Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
Deposit date:2020-09-16
Release date:2021-10-13
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7K57
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BU of 7k57 by Molmil
Structure of apo VCP dodecamer generated from bacterially recombinant VCP/p97
Descriptor: Transitional endoplasmic reticulum ATPase
Authors:Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
Deposit date:2020-09-16
Release date:2021-10-13
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7KEI
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BU of 7kei by Molmil
DQA1*01:02/DQB1*06:02 in complex with a hemagglutinin peptide from the H1N1 pandemic flu virus.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA peptide from 2009 H1N1 pandemic flu virus., ...
Authors:Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W.
Deposit date:2020-10-10
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a flu peptide.
To Be Published
7KHW
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BU of 7khw by Molmil
Cryo-EM structure of enteropathogenic Escherichia coli type III secretion system EspA filament
Descriptor: Translocon EspA
Authors:Zheng, W, Ilangovan, A, Costa, T.R.D, Egelman, E.H.
Deposit date:2020-10-22
Release date:2020-12-23
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryoelectron-microscopy structure of the enteropathogenic Escherichia coli type III secretion system EspA filament.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KYJ
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BU of 7kyj by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Shabalin, I.G, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-07
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc
To Be Published
3B2R
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BU of 3b2r by Molmil
Crystal Structure of PDE5A1 catalytic domain in complex with Vardenafil
Descriptor: 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, cGMP-specific 3',5'-cyclic phosphodiesterase
Authors:Huanchen, W, Mengchun, Y, Howard, R, Sharron, H.F, Hengming, K.
Deposit date:2007-10-19
Release date:2008-05-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil.
Mol.Pharmacol., 73, 2008
7KPP
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BU of 7kpp by Molmil
Structure of the E102A mutant of a GNAT superfamily PA3944 acetyltransferase
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase PA3944, COENZYME A, ...
Authors:Czub, M.P, Porebski, P.J, Majorek, K.A, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
7KPS
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BU of 7kps by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with AcCoA
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
7KYE
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BU of 7kye by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-07
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
To Be Published
7KIP
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BU of 7kip by Molmil
A 3.4 Angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Zhang, K, Li, S, Pintilie, G, Chmielewski, D, Schmid, M, Simmons, G, Jin, J, Chiu, W.
Deposit date:2020-10-24
Release date:2020-11-11
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:A 3.4- angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles.
Biorxiv, 2020
3BAR
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BU of 3bar by Molmil
Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-azido-UMP
Descriptor: Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Liu, Y, Bello, A.M, Poduch, E, Lau, W, Kotra, L.P, Pai, E.F.
Deposit date:2007-11-08
Release date:2008-01-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase.
J.Med.Chem., 51, 2008
3C6G
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BU of 3c6g by Molmil
Crystal structure of CYP2R1 in complex with vitamin D3
Descriptor: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ...
Authors:Strushkevich, N.V, Min, J, Loppnau, P, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Plotnikov, A.N, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-02-04
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of CYP2R1 in complex with vitamin D3.
J.Mol.Biol., 380, 2008
4XEO
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BU of 4xeo by Molmil
Crystal Structure of human AlaRS catalytic domain with R329H mutation
Descriptor: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, Alanine--tRNA ligase, cytoplasmic, ...
Authors:Zhou, H, He, W, Yang, X.L.
Deposit date:2014-12-24
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure of human AlaRS catalytic domain with R329H mutation
To Be Published
2QE3
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BU of 2qe3 by Molmil
Crystal structure of human tl1a extracellular domain
Descriptor: CHLORIDE ION, TNF superfamily ligand TL1A
Authors:Zhan, C, Yan, Q, Patskovsky, Y, Shi, W, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C.
Deposit date:2007-06-22
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical and structural characterization of the human TL1A ectodomain.
Biochemistry, 48, 2009
7KTY
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BU of 7kty by Molmil
Data clustering and dynamics of chymotrypsinogen average structure
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
2QAF
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BU of 2qaf by Molmil
Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-iodo-UMP
Descriptor: Orotidine 5' monophosphate decarboxylase, SULFATE ION, URIDINE-5'-MONOPHOSPHATE
Authors:Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F.
Deposit date:2007-06-15
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase
J.Med.Chem., 51, 2008
7L4U
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BU of 7l4u by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 1h
Descriptor: (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, Monoglyceride lipase
Authors:Qin, L, Lane, W, Skene, R.J, Dougan, D.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L4W
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BU of 7l4w by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 2d
Descriptor: (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, Monoglyceride lipase
Authors:Qin, L, Gay, S.C, Lane, W, Skene, R.J.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L4T
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BU of 7l4t by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one, ACETATE ION, ...
Authors:Qin, L, Gay, S.C, Lane, W, Skene, R.J.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
2QBS
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BU of 2qbs by Molmil
Crystal structure of ptp1b-inhibitor complex
Descriptor: 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007

223532

数据于2024-08-07公开中

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