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1NDU
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BU of 1ndu by Molmil
Bacillus lentus subtilisin variant S101G/V104N
Descriptor: CALCIUM ION, Subtilisin Savinase
Authors:Pan, X, Bott, R, Glatz, C.E.
Deposit date:2002-12-09
Release date:2004-04-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Subtilisin surface properties and crystal growth kinetics
J.CRYST.GROWTH, 254, 2003
1NDQ
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BU of 1ndq by Molmil
Bacillus lentus subtilisin
Descriptor: CALCIUM ION, Subtilisin Savinase
Authors:Pan, X, Bott, R, Glatz, C.E.
Deposit date:2002-12-09
Release date:2004-04-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Subtilisin surface properties and crystal growth kinetics
J.CRYST.GROWTH, 254, 2003
6J8E
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BU of 6j8e by Molmil
Human Nav1.2-beta2-KIIIA ternary complex
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, X, Li, Z, Huang, X, Huang, G, Yan, N.
Deposit date:2019-01-18
Release date:2019-02-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for pore blockade of human Na+channel Nav1.2 by the mu-conotoxin KIIIA.
Science, 363, 2019
5GHY
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BU of 5ghy by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "post-acylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2016-06-21
Release date:2017-01-25
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
5GHZ
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BU of 5ghz by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "pre-deacylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2016-06-21
Release date:2017-01-25
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
5GHX
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BU of 5ghx by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2016-06-21
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
6VG7
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BU of 6vg7 by Molmil
De novo designed Rossmann fold protein ROS2_49223
Descriptor: De novo designed protein RO2_25
Authors:Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
Deposit date:2020-01-07
Release date:2020-08-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGB
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BU of 6vgb by Molmil
De novo designed Rossmann fold protein ROS2_36830
Descriptor: De novo designed protein RO2_20
Authors:Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
Deposit date:2020-01-07
Release date:2020-08-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGA
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BU of 6vga by Molmil
De novo designed Rossmann fold protein ROS2_835
Descriptor: De novo designed protein RO2_1
Authors:Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
Deposit date:2020-01-07
Release date:2020-08-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6KHI
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BU of 6khi by Molmil
Supercomplex for cylic electron transport in cyanobacteria
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Pan, X, Cao, D, Xie, F, Zhang, X, Li, M.
Deposit date:2019-07-15
Release date:2020-02-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
2G77
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BU of 2g77 by Molmil
Crystal Structure of Gyp1 TBC domain in complex with Rab33 GTPase bound to GDP and AlF3
Descriptor: ALUMINUM FLUORIDE, GTPase-activating protein GYP1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Pan, X, Eathiraj, S, Munson, M, Lambright, D.G.
Deposit date:2006-02-27
Release date:2006-07-25
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:TBC-domain GAPs for Rab GTPases accelerate GTP hydrolysis by a dual-finger mechanism.
Nature, 442, 2006
3JYN
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BU of 3jyn by Molmil
Crystal structures of Pseudomonas syringae pv. Tomato DC3000 quinone oxidoreductase complexed with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Quinone oxidoreductase
Authors:Pan, X, Zhang, H, Gao, Y, Li, M, Chang, W.
Deposit date:2009-09-22
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of Pseudomonas syringae pv. tomato DC3000 quinone oxidoreductase and its complex with NADPH
Biochem.Biophys.Res.Commun., 390, 2009
3JYL
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BU of 3jyl by Molmil
Crystal structures of Pseudomonas syringae pv. Tomato DC3000 quinone oxidoreductase
Descriptor: Quinone oxidoreductase
Authors:Pan, X, Zhang, H, Gao, Y, Li, M, Chang, W.
Deposit date:2009-09-22
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Pseudomonas syringae pv. tomato DC3000 quinone oxidoreductase and its complex with NADPH
Biochem.Biophys.Res.Commun., 390, 2009
6KHJ
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BU of 6khj by Molmil
Supercomplex for electron transfer
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Pan, X, Cao, D, Xie, F, Zhang, X, Li, M.
Deposit date:2019-07-15
Release date:2020-02-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
8IJA
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BU of 8ija by Molmil
Cryo-EM structure of human HCAR2-Gi complex with niacin
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Pan, X, Fang, Y.
Deposit date:2023-02-26
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
8IJ3
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BU of 8ij3 by Molmil
Cryo-EM structure of human HCAR2-Gi complex without ligand (apo state)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Pan, X, Fang, Y.
Deposit date:2023-02-24
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
8IJB
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BU of 8ijb by Molmil
Cryo-EM structure of human HCAR2-Gi complex with acipimox
Descriptor: 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Pan, X, Fang, Y.
Deposit date:2023-02-27
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
8IJD
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BU of 8ijd by Molmil
Cryo-EM structure of human HCAR2-Gi complex with MK-6892
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Pan, X, Fang, Y.
Deposit date:2023-02-27
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
5XHR
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BU of 5xhr by Molmil
Crystal structure of P99 beta-lactamase in complex with a penicillin derivative MPC-1
Descriptor: (2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2017-04-24
Release date:2017-09-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modified Penicillin Molecule with Carbapenem-Like Stereochemistry Specifically Inhibits Class C beta-Lactamases
Antimicrob. Agents Chemother., 61, 2017
4N9L
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BU of 4n9l by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with meropenem
Descriptor: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase
Authors:Pan, X, Wong, W, Zhao, Y.
Deposit date:2013-10-21
Release date:2014-09-10
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4N9K
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BU of 4n9k by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Wong, W, Zhao, Y.
Deposit date:2013-10-21
Release date:2014-09-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4N92
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BU of 4n92 by Molmil
Crystal structure of beta-lactamse PenP_E166S
Descriptor: Beta-lactamase
Authors:Pan, X, Wong, W, Zhao, Y.
Deposit date:2013-10-19
Release date:2014-09-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
6IJJ
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BU of 6ijj by Molmil
Photosystem I of Chlamydomonas reinhardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X, Ma, J, Su, X, Liu, Z, Zhang, X, Li, M.
Deposit date:2018-10-10
Release date:2019-03-20
Last modified:2019-05-01
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Antenna arrangement and energy transfer pathways of a green algal photosystem-I-LHCI supercomplex.
Nat Plants, 5, 2019
6IJO
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BU of 6ijo by Molmil
Photosystem I of Chlamydomonas reinhardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X, Ma, J, Su, X, Liu, Z, Zhang, X, Li, M.
Deposit date:2018-10-10
Release date:2019-03-20
Last modified:2019-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Antenna arrangement and energy transfer pathways of a green algal photosystem-I-LHCI supercomplex.
Nat Plants, 5, 2019
6W90
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BU of 6w90 by Molmil
De novo designed NTF2 fold protein NT-9
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9
Authors:Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T.
Deposit date:2020-03-21
Release date:2020-08-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020

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PDB entries from 2024-03-27

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