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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
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
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
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
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
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
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
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
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
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
6SZM
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BU of 6szm by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-10-02
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
6T14
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BU of 6t14 by Molmil
Native structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7
Descriptor: SODIUM ION, Type-1Aa cytolytic delta-endotoxin
Authors:Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
6SVH
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BU of 6svh by Molmil
Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-09-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
5FVB
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BU of 5fvb by Molmil
CRYSTAL STRUCTURE OF PHORMIDIUM C-PHYCOERYTHRIN AT PH 5.0
Descriptor: C-PHYCOERYTHRIN ALPHA SUBUNIT, C-PHYCOERYTHRIN BETA SUBUNIT, GLYCEROL, ...
Authors:Kumar, V, Sonani, R.R, Sharma, M, Gupta, G.D, Madamwar, D.
Deposit date:2016-02-05
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure Analysis of C-Phycoerythrin from Marine Cyanobacterium Phormidium Sp. A09Dm.
Photosynth.Res., 129, 2016
7ZH2
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BU of 7zh2 by Molmil
SARS CoV Spike protein, Closed C1 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
Deposit date:2022-04-05
Release date:2023-02-15
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
5FJP
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BU of 5fjp by Molmil
N-acyl amino acid racemase from Amycolatopsis sp Ts-1-60: G291D F323Y I293G mutant in complex with N-acetyl naphthylalanine
Descriptor: MAGNESIUM ION, N-acetyl naphthylalanine, O-SUCCINYLBENZOATE SYNTHASE
Authors:Sanchez Carron, G, Campopiano, D, Grogan, G.
Deposit date:2015-10-12
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure of N-Acylamino Acid Racemase Mutants in Complex with Substrates
To be Published
7ZPB
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BU of 7zpb by Molmil
Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
Deposit date:2022-04-27
Release date:2023-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
7ZH5
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BU of 7zh5 by Molmil
SARS CoV Spike protein, Open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
Authors:Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
Deposit date:2022-04-05
Release date:2023-02-15
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
7ZH1
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BU of 7zh1 by Molmil
SARS CoV Spike protein, Closed C3 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
Deposit date:2022-04-05
Release date:2023-02-15
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
4RUO
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BU of 4ruo by Molmil
Crystal structure of zVDR L337H mutant-gemini complex
Descriptor: 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ...
Authors:Huet, T, Moras, D, Rochel, N.
Deposit date:2014-11-21
Release date:2015-10-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects.
Cell Rep, 10, 2015
1PGF
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BU of 1pgf by Molmil
PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), CIS MODEL
Descriptor: 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC 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:Loll, P.J, Picot, D, Garavito, R.M.
Deposit date:1995-12-02
Release date:1997-01-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
6S3U
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BU of 6s3u by Molmil
Adhesin P140 from Mycoplasma Genitalium
Descriptor: Adhesin P1
Authors:Fita, I, Aparicio, D.
Deposit date:2019-06-26
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structure and mechanism of the Nap adhesion complex from the human pathogen Mycoplasma genitalium.
Nat Commun, 11, 2020
6T1C
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BU of 6t1c by Molmil
Structure of the C7S mutant of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7
Descriptor: SODIUM ION, Type-1Aa cytolytic delta-endotoxin
Authors:Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
3ZUJ
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BU of 3zuj by Molmil
Padron on (fluorescent) ABcis
Descriptor: FLUORESCENT PROTEIN DRONPA
Authors:REGIS Faro, A, Carpentier, P, Bourgeois, D.
Deposit date:2011-07-19
Release date:2011-08-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:Low-Temperature Chromophore Isomerization Reveals the Photoswitching Mechanism of the Fluorescent Protein Padron.
J.Am.Chem.Soc., 133, 2011
6STR
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BU of 6str by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 60 seconds soaking
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
Authors:Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
Deposit date:2019-09-11
Release date:2021-07-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021

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