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7DX8
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BU of 7dx8 by Molmil
Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 2 (2 up RBD and 2 PD bound)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX5
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BU of 7dx5 by Molmil
S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 2 (1 up RBD and 1 PD bound)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX9
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BU of 7dx9 by Molmil
Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 3 (3 up RBD and 2 PD bound)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX7
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BU of 7dx7 by Molmil
Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 1 (1 up RBD and 1 PD bound)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
1LPP
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BU of 1lpp by Molmil
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE
Descriptor: 1-HEXADECANOSULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Grochulski, P.G, Cygler, M.C.
Deposit date:1995-01-17
Release date:1995-04-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase.
Biochemistry, 33, 1994
2B5Y
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BU of 2b5y by Molmil
Solution Structure of a Thioredoxin-like Protein in the Oxidized Form
Descriptor: YkuV protein
Authors:Zhang, X, Xia, B, Jin, C.
Deposit date:2005-09-29
Release date:2006-01-17
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:The bacillus subtilis YKUV is a thiol-disulfide oxidoreductase revealed by its redox structures and activity
J.Biol.Chem., 281, 2006
1LPO
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BU of 1lpo by Molmil
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE
Descriptor: 1-HEXADECANOSULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Grochulski, P.G, Cygler, M.C.
Deposit date:1995-01-13
Release date:1995-04-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase.
Biochemistry, 33, 1994
6L15
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BU of 6l15 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L12
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BU of 6l12 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
1LPM
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BU of 1lpm by Molmil
A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES
Descriptor: (1R)-MENTHYL HEXYL PHOSPHONATE GROUP, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Grochulski, P.G, Cygler, M.C.
Deposit date:1995-01-06
Release date:1995-04-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:A Structural Basis for the Chiral Preferences of Lipases
J.Am.Chem.Soc., 116, 1994
1LPN
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BU of 1lpn by Molmil
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Grochulski, P.G, Cygler, M.C.
Deposit date:1995-01-11
Release date:1995-04-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase.
Biochemistry, 33, 1994
1HSH
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BU of 1hsh by Molmil
CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES
Descriptor: HIV-II PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Authors:Chen, Z.
Deposit date:1995-03-31
Release date:1996-04-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases.
J.Biol.Chem., 269, 1994
6L16
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BU of 6l16 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L17
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BU of 6l17 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-09-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L11
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BU of 6l11 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
4L02
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BU of 4l02 by Molmil
Crystal Structure of SphK1 with inhibitor
Descriptor: (2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol, Sphingosine kinase 1
Authors:Min, X, Walker, N, Wang, Z.
Deposit date:2013-05-30
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure guided design of a series of sphingosine kinase (SphK) inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1MFA
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BU of 1mfa by Molmil
STRUCTURE OF A SINGLE-CHAIN FV FRAGMENT COMPLEXED WITH A CARBOHYDRATE ANTIGEN AT 1.7 ANGSTROMS RESOLUTION
Descriptor: IGG1-LAMBDA SE155-4 FAB (HEAVY CHAIN), IGG1-LAMBDA SE155-4 FAB (LIGHT CHAIN), alpha-D-galactopyranose-(1-2)-[alpha-D-Abequopyranose-(1-3)]methyl alpha-D-mannopyranoside
Authors:Zdanov, A, Cygler, M.
Deposit date:1993-10-25
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a single-chain antibody variable domain (Fv) fragment complexed with a carbohydrate antigen at 1.7-A resolution.
Proc.Natl.Acad.Sci.USA, 91, 1994
2F3I
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BU of 2f3i by Molmil
Solution Structure of a Subunit of RNA Polymerase II
Descriptor: DNA-directed RNA polymerases I, II, and III 17.1 kDa polypeptide
Authors:Kang, X, Jin, C.
Deposit date:2005-11-21
Release date:2006-05-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural, biochemical, and dynamic characterizations of the hRPB8 subunit of human RNA polymerases
J.Biol.Chem., 281, 2006
8XT2
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BU of 8xt2 by Molmil
Cryo-EM structure of the human 55S mitoribosome with 10uM Tigecycline
Descriptor: 12s rRNA, 16s rRNA, 39S ribosomal protein L22, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2024-01-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8XQN
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BU of 8xqn by Molmil
Structure of human class T GPCR TAS2R14-DNGi complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 2024
8XQL
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BU of 8xql by Molmil
Structure of human class T GPCR TAS2R14-miniGs/gust complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 2024
8XT0
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BU of 8xt0 by Molmil
Cryo-EM structure of the human 55S mitoribosome with 5um Tigecycline
Descriptor: 12s rRNA, 16s rRNA, 39S ribosomal protein L22, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2024-01-10
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8XQR
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BU of 8xqr by Molmil
Structure 2 of human class T GPCR TAS2R14-miniGs/gust complex with Flufenamic acid.
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 2024
8XQO
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BU of 8xqo by Molmil
Structure of human class T GPCR TAS2R14-Gi complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 2024
8Y74
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BU of 8y74 by Molmil
Crystal structure of 9-mer peptide from H9N2 avian influenza virus in complex with BF2*0201
Descriptor: Beta-2-microglobulin, MHC class I alpha chain 2, Polymerase basic protein 2
Authors:Jia, Y.S, Ma, M.L.
Deposit date:2024-02-03
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Revealing novel and conservative T-cell epitopes with MHC B2 restriction on H9N2 avian influenza virus (AIV).
J.Biol.Chem., 300, 2024

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