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4X1X
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BU of 4x1x by Molmil
Crystal structure of RHDVb P domain in complex with Lewis Y
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, VP1, ...
Authors:Leuthold, M.M, Hansman, G.S.
Deposit date:2014-11-25
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of a rabbit hemorrhagic disease virus binding to histo-blood group antigens.
J.Virol., 89, 2015
4X2Z
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BU of 4x2z by Molmil
Structural view and substrate specificity of papain-like protease from Avian Infectious Bronchitis Virus
Descriptor: Nonstructural protein 3, ZINC ION
Authors:Kong, L, Shaw, N, Yan, L, Lou, Z, Rao, Z.
Deposit date:2014-11-27
Release date:2015-01-28
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural View and Substrate Specificity of Papain-like Protease from Avian Infectious Bronchitis Virus.
J.Biol.Chem., 290, 2015
5DGY
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BU of 5dgy by Molmil
Crystal structure of rhodopsin bound to visual arrestin
Descriptor: Endolysin,Rhodopsin,S-arrestin
Authors:Zhou, X.E, Gao, X, Kang, Y, He, Y, de Waal, P.W, Suino-Powell, K.M, Wang, M, Melcher, K, Xu, H.E.
Deposit date:2015-08-28
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (7.7 Å)
Cite:X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex.
Sci Data, 3, 2016
5DHK
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BU of 5dhk by Molmil
Nicotiana tabacum 5-epi-aristolochene synthase mutant W273E - alkylated
Descriptor: 5-epi-aristolochene synthase, FARNESYL, MAGNESIUM ION
Authors:Noel, J.P, Kersten, R.K.
Deposit date:2015-08-31
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Mechanism-Based Post-Translational Modification and Inactivation in Terpene Synthases.
Acs Chem.Biol., 10, 2015
1HFP
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BU of 1hfp by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
8IDZ
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BU of 8idz by Molmil
Beta-glucosidase BglPcC1
Descriptor: Beta-glucosidase
Authors:Zhou, J.P, Zhu, H.R, Zhang, R, Huang, Z.X.
Deposit date:2023-02-14
Release date:2024-02-21
Method:X-RAY DIFFRACTION (4 Å)
Cite:Conversion of ginsenosides using beta-glucosidase BglPcC1
To Be Published
6W35
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BU of 6w35 by Molmil
A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
5DJW
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BU of 5djw by Molmil
Crystal structure of Family 31 alpha-glucosidase (BT_3299) from Bacteroides thetaiotaomicron
Descriptor: Alpha-glucosidase II
Authors:Chaudet, M.M, Rose, D.R.
Deposit date:2015-09-02
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Suggested alternative starch utilization system from the human gut bacterium Bacteroides thetaiotaomicron.
Biochem.Cell Biol., 94, 2016
8I3O
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BU of 8i3o by Molmil
crystal structure of yeast cytosine deaminase mutant yCD-RQ-1/8SAH
Descriptor: Cytosine deaminase, MANGANESE (II) ION
Authors:Qin, M.M, Yao, L.S, Deng, H.Z.
Deposit date:2023-01-17
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:crystal structure of yeast cytosine deaminase mutant yCD-RQ-1/8SAH
To be published
6VZP
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BU of 6vzp by Molmil
HBV wild type capsid
Descriptor: Capsid protein
Authors:Zhao, Z, Wang, J, Zlotnick, A.
Deposit date:2020-02-28
Release date:2020-09-30
Last modified:2020-12-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
8I3P
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BU of 8i3p by Molmil
crystal structure of yeast cytosine deaminase mutant yCD-RQ-1/8SAH in complex with (R)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one, Cytosine deaminase, ...
Authors:Qin, M.M, Deng, H.Z, Yao, L.S.
Deposit date:2023-01-17
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:crystal structure of yeast cytosine deaminase mutant yCD-RQ-1/8SAH in complex with (R)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
To be published
5DRU
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BU of 5dru by Molmil
Structure of His387Ala mutant of the propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment
Descriptor: Aldehyde Dehydrogenase, SULFATE ION
Authors:Tuck, L.R, Altenbach, K, Fu, A.T, Crawshaw, A.D, Campopiano, D.J, Clarke, D.J, Marles-Wright, J.
Deposit date:2015-09-16
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.083 Å)
Cite:Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans.
Sci Rep, 6, 2016
6W53
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BU of 6w53 by Molmil
Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC070)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme, N-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide
Authors:Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T.
Deposit date:2020-03-12
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box.
Acs Infect Dis., 7, 2021
6W56
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BU of 6w56 by Molmil
Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC062)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme, ~{N}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide
Authors:Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T.
Deposit date:2020-03-12
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box.
Acs Infect Dis., 7, 2021
8I4R
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BU of 8i4r by Molmil
Crystal structure of Acyl-CoA dehydrogenase complexed with Acetyl-CoA from Thermobifida fusca
Descriptor: ACETYL COENZYME *A, Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Choi, M, Seok, J, Kim, K.-J.
Deposit date:2023-01-20
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of Acyl-CoA dehydrogenase complexed with Acetyl-CoA from Thermobifida fusca
To Be Published
8I3N
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BU of 8i3n by Molmil
crystal structure of yeast cytosine deaminase mutant yCD-RQ
Descriptor: Cytosine deaminase, ZINC ION
Authors:Qin, M.M, Yao, L.S, Deng, H.Z.
Deposit date:2023-01-17
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The crystal structure of rational designed yCD mutant yCD-RQ
To be published
8HWP
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BU of 8hwp by Molmil
Crystal Structure of Mutant GDSL Esterase of Photobacterium sp. J15 S12A in Complex with Butyrate
Descriptor: GDSL-family esterase, butanoic acid
Authors:Rahman, N.N.A, Leow, T.C, Jonet, M.A.
Deposit date:2023-01-02
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of Mutant GDSL Esterase of Photobacterium sp. J15 in Complex with Butyrate
To Be Published
1GXQ
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BU of 1gxq by Molmil
Crystal structure of the PhoB effector domain
Descriptor: PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB
Authors:Blanco, A.G, Sola, M, Gomis-Ruth, F.X, Coll, M.
Deposit date:2002-04-08
Release date:2002-04-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tandem DNA Recognition by Two-Component Signal Transduction Transcriptional Activator Phob
Structure, 10, 2002
6DEH
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BU of 6deh by Molmil
Structure of LpnE Effector Protein from Legionella pneumophila (sp. Philadelphia)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NICKEL (II) ION, ...
Authors:Voth, K, Chung, I.Y.W, van Straaten, K.E, Cygler, M.
Deposit date:2018-05-11
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of Legionella effector protein LpnE provides insights into its interaction with Oculocerebrorenal syndrome of Lowe (OCRL) protein.
FEBS J., 286, 2019
1HH6
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BU of 1hh6 by Molmil
ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH A PEPTIDE
Descriptor: IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN), IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN), PEP-4
Authors:Hahn, M, Wessner, H, Schneider-Mergener, J, Hohne, W.
Deposit date:2000-12-21
Release date:2001-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Evolutionary Transition Pathways for Changing Peptide Ligand Specificity and Structure
Embo J., 19, 2000
1H3O
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BU of 1h3o by Molmil
Crystal Structure of the Human TAF4-TAF12 (TAFII135-TAFII20) Complex
Descriptor: TRANSCRIPTION INITIATION FACTOR TFIID 135 KDA SUBUNIT, TRANSCRIPTION INITIATION FACTOR TFIID 20/15 KDA SUBUNITS
Authors:Werten, S, Mitschler, A, Moras, D.
Deposit date:2002-09-12
Release date:2002-09-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a Subcomplex of Human Transcription Factor TFIID Formed by TATA Binding Protein-Associated Factors Htaf4 (Htaf(II)135) and Htaf12 (Htaf(II)20).
J.Biol.Chem., 277, 2002
4C0W
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BU of 4c0w by Molmil
The crystal strucuture of native PpAzoR
Descriptor: DODECAETHYLENE GLYCOL, FLAVIN MONONUCLEOTIDE, FMN-DEPENDENT NADH-AZOREDUCTASE 1
Authors:Goncalves, A.M.D, de Sanctis, D, Bento, I.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of Pseudomonas Putida Azor: The Active Site Revisited.
FEBS J., 280, 2013
1H65
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BU of 1h65 by Molmil
Crystal structure of pea Toc34 - a novel GTPase of the chloroplast protein translocon
Descriptor: CHLOROPLAST OUTER ENVELOPE PROTEIN OEP34, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Sun, Y.J, Forouhar, F, Li, H.M, Tu, S.L, Kao, S, Shr, H.L, Chou, C.C, Hsiao, C.D.
Deposit date:2001-06-06
Release date:2002-01-29
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Pea Toc34 - a Novel Gtpase of the Chloroplast Protein Translocon
Nat.Struct.Biol., 9, 2002
5CXV
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BU of 5cxv by Molmil
Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ...
Authors:Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K.
Deposit date:2015-07-29
Release date:2016-03-09
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
1HBQ
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BU of 1hbq by Molmil
CRYSTAL STRUCTURE OF LIGANDED AND UNLIGANDED FORMS OF BOVINE PLASMA RETINOL-BINDING PROTEIN
Descriptor: RETINOL BINDING PROTEIN
Authors:Zanotti, G, Monaco, H.L.
Deposit date:1993-02-05
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of liganded and unliganded forms of bovine plasma retinol-binding protein.
J.Biol.Chem., 268, 1993

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