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PDB: 351 件

5VPM
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BU of 5vpm by Molmil
Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, SULFATE ION, ...
著者Concha, N, Zhao, B.
登録日2017-05-05
公開日2017-10-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition.
Bioorg. Med. Chem. Lett., 27, 2017
5VRP
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BU of 5vrp by Molmil
Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, SULFATE ION, ...
著者Concha, N, Zhao, B.
登録日2017-05-11
公開日2017-10-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition.
Bioorg. Med. Chem. Lett., 27, 2017
1HOS
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BU of 1hos by Molmil
INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS-1 PROTEASE BY A C2-SYMMETRIC PHOSPHINATE SYNTHESIS AND CRYSTALLOGRAPHIC ANALYSIS
分子名称: (2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID, HIV-1 PROTEASE
著者Abdel-Meguid, S, Zhao, B.
登録日1993-04-06
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of human immunodeficiency virus-1 protease by a C2-symmetric phosphinate. Synthesis and crystallographic analysis.
Biochemistry, 32, 1993
4H5S
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BU of 4h5s by Molmil
Complex structure of Necl-2 and CRTAM
分子名称: Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule
著者Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F.
登録日2012-09-18
公開日2013-08-07
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2.
Structure, 21, 2013
6LU7
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BU of 6lu7 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor N3
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-01-26
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
1HPS
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BU of 1hps by Molmil
RATIONAL DESIGN, SYNTHESIS AND CRYSTALLOGRAPHIC ANALYSIS OF A HYDROXYETHYLENE-BASED HIV-1 PROTEASE INHIBITOR CONTAINING A HETEROCYCLIC P1'-P2' AMIDE BOND ISOSTERE
分子名称: 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE, HIV-1 PROTEASE
著者Abdel-Meguid, S, Zhao, B.
登録日1994-05-24
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational design, synthesis, and crystallographic analysis of a hydroxyethylene-based HIV-1 protease inhibitor containing a heterocyclic P1'--P2' amide bond isostere.
J.Med.Chem., 37, 1994
5LY0
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BU of 5ly0 by Molmil
Crystal structure of LOB domain of Ramosa2 from Wheat
分子名称: LOB family transfactor Ramosa2.1, ZINC ION
著者Wei, X.-B, Zhang, B, Chen, W.-F, Fan, S.-H, Rety, S, Xi, X.-G.
登録日2016-09-23
公開日2017-10-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.877 Å)
主引用文献Structural analysis reveals a "molecular calipers" mechanism for a LATERAL ORGAN BOUNDARIES DOMAIN transcription factor protein from wheat.
J. Biol. Chem., 294, 2019
5K6G
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BU of 5k6g by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-24 DS-Cav1 variant.
分子名称: Fusion glycoprotein F0,Fusion glycoprotein F0
著者Joyce, M.G, Zhang, B, Mascola, J.R, Kwong, P.D.
登録日2016-05-24
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
5K6B
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BU of 5k6b by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9 DS-Cav1 variant.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, SULFATE ION
著者Joyce, M.G, Zhang, B, Rundlet, E.J, Mascola, J.R, Kwong, P.D.
登録日2016-05-24
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.981 Å)
主引用文献Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
5K6F
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BU of 5k6f by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-19 DS-Cav1 variant.
分子名称: Fusion glycoprotein F0
著者Joyce, M.G, Zhang, B, Lai, Y.T, Mascola, J.R, Kwong, P.D.
登録日2016-05-24
公開日2016-08-10
最終更新日2016-09-21
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
6CB7
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BU of 6cb7 by Molmil
CRYSTAL STRUCTURE OF VACCINIA VIRUS A6 N-TERMINUS (SPACE GROUP C2)
分子名称: NICKEL (II) ION, Protein A6
著者Han, Y, Zhang, B, Deng, J.
登録日2018-02-02
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8J5U
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BU of 8j5u by Molmil
Crystal structure of Mycobacterium tuberculosis OppA complexed with an endogenous oligopeptide
分子名称: Endogenous oligopeptide, Uncharacterized protein Rv1280c
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 2024
8J5S
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BU of 8j5s by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-catalytic intermediate state
分子名称: Endogenous oligopeptide, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 2024
8J5R
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BU of 8j5r by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the resting state
分子名称: IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, Putative peptide transport permease protein Rv1283c, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 2024
8J5T
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BU of 8j5t by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the catalytic intermediate state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 2024
8J5Q
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BU of 8j5q by Molmil
Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-translocation state
分子名称: Endogenous oligopeptide, IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, ...
著者Yang, X, Hu, T, Zhang, B, Rao, Z.
登録日2023-04-24
公開日2024-04-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 2024
1BY8
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BU of 1by8 by Molmil
THE CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN K
分子名称: PROTEIN (PROCATHEPSIN K)
著者Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
登録日1998-10-27
公開日1999-10-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of human procathepsin K.
Biochemistry, 38, 1999
5WTH
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BU of 5wth by Molmil
Cryo-EM structure for Hepatitis A virus complexed with FAB
分子名称: FAB Heavy Chain, FAB Light Chain, Polyprotein, ...
著者Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
登録日2016-12-12
公開日2017-01-25
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1BP4
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BU of 1bp4 by Molmil
USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES.
分子名称: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN
著者Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
登録日1998-08-12
公開日1999-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.
J.Med.Chem., 41, 1998
5WTF
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BU of 5wtf by Molmil
Cryo-EM structure for Hepatitis A virus empty particle
分子名称: VP0, VP1, VP3
著者Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
登録日2016-12-11
公開日2017-01-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WTE
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BU of 5wte by Molmil
Cryo-EM structure for Hepatitis A virus full particle
分子名称: VP1, VP2, VP3
著者Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
登録日2016-12-11
公開日2017-01-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WTG
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BU of 5wtg by Molmil
Crystal structure of the Fab fragment of anti-HAV antibody R10
分子名称: FAB Heavy chain, FAB Light chain
著者Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
登録日2016-12-11
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1BQI
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BU of 1bqi by Molmil
USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES.
分子名称: CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE, PAPAIN
著者Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
登録日1998-08-16
公開日1999-08-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.
J.Med.Chem., 41, 1998
1U53
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BU of 1u53 by Molmil
Novel X-Ray Structure of Na-ASP-2, a PR-1 protein from the nematode parasite Necator americanus and a vaccine antigen for human hookworm infection
分子名称: secreted protein ASP-2
著者Asojo, O.A, Goud, G, Dhar, K, Loukas, A, Zhan, B, Deumic, V, Liu, S, Borgstahl, G.E.O, Hotez, P.J.
登録日2004-07-26
公開日2005-02-01
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献X-ray structure of Na-ASP-2, a pathogenesis-related-1 protein from the nematode parasite, Necator americanus, and a vaccine antigen for human hookworm infection.
J.Mol.Biol., 346, 2005
5I96
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BU of 5i96 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
分子名称: 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ...
著者Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017

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