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4PZV
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BU of 4pzv by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2014-03-31
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
5XS5
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BU of 5xs5 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus procapsid particle
Descriptor: Genome polyprotein
Authors:Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W.
Deposit date:2017-06-12
Release date:2017-09-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
5GJ9
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BU of 5gj9 by Molmil
Crystal structure of Arabidopsis thaliana ACO2 in complex with POA
Descriptor: 1-aminocyclopropane-1-carboxylate oxidase 2, PYRAZINE-2-CARBOXYLIC ACID, ZINC ION
Authors:Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W.
Deposit date:2016-06-28
Release date:2017-05-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase.
Nat Commun, 8, 2017
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4HXO
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BU of 4hxo by Molmil
Brd4 Bromodomain 1 complex with 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE inhibitor
Descriptor: 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine, Bromodomain-containing protein 4
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXS
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BU of 4hxs by Molmil
Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor
Descriptor: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
5CD3
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BU of 5cd3 by Molmil
Structure of immature VRC01-class antibody DRVIA7
Descriptor: DRVIA7 Heavy Chain, DRVIA7 Light Chain
Authors:Kong, L, Wilson, I.A.
Deposit date:2015-07-02
Release date:2016-04-06
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
4HXM
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BU of 4hxm by Molmil
Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor
Descriptor: Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXL
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BU of 4hxl by Molmil
Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor
Descriptor: 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
2KFV
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BU of 2kfv by Molmil
Structure of the amino-terminal domain of human FK506-binding protein 3 / Northeast Structural Genomics Consortium Target HT99A
Descriptor: FK506-binding protein 3
Authors:Sunnerhagen, M, Davis, T, Gutmanas, A, Fares, C, Ouyang, H, Lemak, A, Li, Y, Weigelt, J, Bountra, C, Edwards, A, Arrowsmith, C.H, Dhe-Paganon, S, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
Deposit date:2009-02-27
Release date:2009-06-23
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structure of the N-terminal domain of FK506-binding protein 3
To be Published
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
5CD5
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BU of 5cd5 by Molmil
Crystal structure of an immature VRC01-class antibody DRVIA7 from a Chinese donor bound to clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 93TH057 HIV-1 gp120 core, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2015-07-03
Release date:2016-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.396 Å)
Cite:Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
1B2D
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BU of 1b2d by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.35 COORDINATES)
Descriptor: PROTEIN (INSULIN A CHAIN), PROTEIN (INSULIN B CHAIN), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
5HZG
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BU of 5hzg by Molmil
The crystal structure of the strigolactone-induced AtD14-D3-ASK1 complex
Descriptor: (2Z)-2-methylbut-2-ene-1,4-diol, F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A, ...
Authors:Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X.
Deposit date:2016-02-02
Release date:2016-08-03
Last modified:2016-08-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:DWARF14 is a non-canonical hormone receptor for strigolactone
Nature, 536, 2016
1IHT
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BU of 1iht by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN ALPHA-THROMBIN AND NON-HYDROLYZABLE BIFUNCTIONAL INHIBITORS, HIRUTONIN-2 AND HIRUTONIN-6
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUTONIN-6
Authors:Zdanov, A, Cygler, M.
Deposit date:1993-08-04
Release date:1994-01-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the complex of human alpha-thrombin and nonhydrolyzable bifunctional inhibitors, hirutonin-2 and hirutonin-6.
Proteins, 17, 1993
1B2C
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BU of 1b2c by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.26 COORDINATES)
Descriptor: PROTEIN (INSULIN A CHAIN), PROTEIN (INSULIN B CHAIN), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
1IHS
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BU of 1ihs by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF HUMAN ALPHA-THROMBIN AND NON-HYDROLYZABLE BIFUNCTIONAL INHIBITORS, HIRUTONIN-2 AND HIRUTONIN-6
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUTONIN
Authors:Zdanov, A, Cygler, M.
Deposit date:1993-08-04
Release date:1994-01-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the complex of human alpha-thrombin and nonhydrolyzable bifunctional inhibitors, hirutonin-2 and hirutonin-6.
Proteins, 17, 1993
1B2B
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BU of 1b2b by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.16 COORDINATES)
Descriptor: PROTEIN (INSULIN A CHAIN), PROTEIN (INSULIN B CHAIN), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
1B2F
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BU of 1b2f by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.98 COORDINATES)
Descriptor: PROTEIN (INSULIN A CHAIN), PROTEIN (INSULIN B CHAIN)
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
5HPK
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BU of 5hpk by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1
Descriptor: E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1
Authors:Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPT
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BU of 5hpt by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1, Ubv P2.3 and UBCH7
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP1, Ubiquitin variant P2.3, Ubiquitin-conjugating enzyme E2 L3
Authors:Wu, K.-P, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
1B19
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BU of 1b19 by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 5.80 COORDINATES)
Descriptor: PROTEIN (INSULIN A CHAIN), PROTEIN (INSULIN B CHAIN), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
1B2E
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BU of 1b2e by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.50 COORDINATES)
Descriptor: PROTEIN (INSULIN a chain), PROTEIN (INSULIN b chain), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
1B17
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BU of 1b17 by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 5.00 COORDINATES)
Descriptor: PROTEIN (INSULIN A chain), PROTEIN (INSULIN b chain), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-22
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003

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