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2PVP
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BU of 2pvp by Molmil
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
Descriptor: D-alanine-D-alanine ligase
Authors:Wu, D, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-05-10
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori.
Proteins, 72, 2008
2RJG
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BU of 2rjg by Molmil
Crystal structure of biosynthetic alaine racemase from Escherichia coli
Descriptor: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
2RJH
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BU of 2rjh by Molmil
Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli
Descriptor: Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
7ZDB
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BU of 7zdb by Molmil
IF(heme/bound) conformation of CydDC in ADP+Pi(CydC)/ATP(CydD) bound state (Dataset-2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDK
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BU of 7zdk by Molmil
IF(apo/asym) conformation of CydDC in AMP-PNP(CydC)/AMP-PNP(CydD) bound state (Dataset-8)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDG
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BU of 7zdg by Molmil
IF(heme/confined) conformation of CydDC (Dataset-5)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, HEME B/C
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDT
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BU of 7zdt by Molmil
Occ(apo/return) conformation of CydDC mutant (E500Q.C) in ATP(CydC) bound state (Dataset-18)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDS
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BU of 7zds by Molmil
IF(apo/as isolated) conformation of CydDC mutant (E500Q.C) (Dataset-18)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDV
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BU of 7zdv by Molmil
IF(apo/as isolated) conformation of CydDC mutant (E500Q.C) in AMP-PNP(CydD) bound state (Dataset-20)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDU
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BU of 7zdu by Molmil
Occ(apo/return) conformation of CydDC mutant (E500Q.C) in ATP(CydC)/ATP(CydD) bound state (Dataset-19)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDR
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BU of 7zdr by Molmil
IF(apo/as isolated) conformation of CydDC mutant (H85A.C) in AMP-PNP(CydD) bound state (Dataset-16)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDW
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BU of 7zdw by Molmil
IF(heme/confined) conformation of CydDC mutant (E500Q.C) in AMP-PNP(CydD) bound state (Dataset-22)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, HEME B/C, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZEC
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BU of 7zec by Molmil
IF(heme/confined) conformation of CydDC in ATP(CydD) bound state (Dataset-15)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDA
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BU of 7zda by Molmil
IF(apo/asym) conformation of CydDC in ADP+Pi(CydC)/ATP(CydD) bound state (Dataset-2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDC
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BU of 7zdc by Molmil
IF(heme/confined) conformation of CydDC in ADP(CydD) bound state (Dataset-3)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDE
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BU of 7zde by Molmil
IF(apo/as isolated) conformation of CydDC in AMP-PNP(CydD) bound state (Dataset-4)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZD5
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BU of 7zd5 by Molmil
IF(apo/as isolated) conformation of CydDC (Dataset-1)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDL
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BU of 7zdl by Molmil
IF(heme/coordinated) conformation of CydDC in AMP-PNP(CydC)/AMP-PNP(CydD) bound state (Dataset-8)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, HEME B/C, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZDF
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BU of 7zdf by Molmil
IF(heme/confined) conformation of CydDC in AMP-PNP(CydD) bound state (Dataset-4)
Descriptor: ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, MAGNESIUM ION, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
7ZE5
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BU of 7ze5 by Molmil
Occ(apo/return) conformation of CydDC mutant (E500Q.C) in ATP(CydC)/AMP-PNP(CydD) bound state (Dataset-23)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, ...
Authors:Wu, D, Safarian, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
5XFJ
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BU of 5xfj by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M)
Descriptor: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
Authors:Wu, D, Chen, Y.
Deposit date:2017-04-10
Release date:2018-08-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
5XFF
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BU of 5xff by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L)
Descriptor: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
Authors:Wu, D, Chen, Y.
Deposit date:2017-04-10
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
5ZZ2
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BU of 5zz2 by Molmil
Crystal structure of PDE5 in complex with inhibitor LW1634
Descriptor: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B.
Deposit date:2018-05-29
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
6ACB
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BU of 6acb by Molmil
Crystal structure of PDE5 in complex with inhibitor LW1805
Descriptor: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B.
Deposit date:2018-07-26
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
4M4X
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BU of 4m4x by Molmil
Structure and Dimerization Properties of the Aryl Hydrocarbon Receptor (AHR) PAS-A Domain
Descriptor: Aryl hydrocarbon receptor
Authors:Wu, D, Potluri, N, Kim, Y, Rastinejad, F.
Deposit date:2013-08-07
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Structure and dimerization properties of the aryl hydrocarbon receptor PAS-A domain.
Mol.Cell.Biol., 33, 2013

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