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PDB: 1019 results

6B5H
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ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6AWI
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Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N5Pan
Descriptor: (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6B5G
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ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Descriptor: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
7UL1
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BU of 7ul1 by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing IGHV3-53-encoded antibody EH3 isolated from a nonvaccinated pediatric patient
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH3, Light chain of EH3, ...
Authors:Chen, Y, Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-03
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
7UL0
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Crystal structure of SARS-CoV-2 RBD in complex with the ridge-binding nAb EH8 isolated from a nonvaccinated pediatric patient
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of EH8, ...
Authors:Chen, Y, Tolbert, W.D, Bai, X, Pazgier, M.
Deposit date:2022-04-03
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular basis for antiviral activity of two pediatric neutralizing antibodies targeting SARS-CoV-2 Spike RBD.
Iscience, 26, 2023
7WBO
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BU of 7wbo by Molmil
Crystal structure of Sarcoplasmic Calcium-Binding Protein from Scylla paramamosain
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Chen, Y, Jin, T, Liu, G.
Deposit date:2021-12-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure Analysis of Sarcoplasmic-Calcium-Binding Protein: An Allergen in Scylla paramamosain.
J.Agric.Food Chem., 71, 2023
7YA2
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Crystal structure of capsular polysaccharide synthesis enzyme CapG from Staphylococcus aureus
Descriptor: Capsular polysaccharide synthesis enzyme CapG
Authors:Chen, Y, Wang, Y.C.
Deposit date:2022-06-27
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the capsular polysaccharide-synthesis enzyme CapG from Staphylococcus aureus.
Acta Crystallogr.,Sect.F, 78, 2022
7YOU
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BU of 7you by Molmil
Cryo-EM structure of RNA polymerase in complex with P protein tetramer of Newcastle disease virus
Descriptor: NDV P protein, RNA-directed RNA polymerase L
Authors:Chen, Y, Jingyuan, C, Xiaoying, F.
Deposit date:2022-08-02
Release date:2023-02-15
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structure of the Newcastle Disease Virus L protein in complex with tetrameric phosphoprotein.
Nat Commun, 14, 2023
7YOV
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Cryo-EM structure of RNA polymerase in complex with P protein tetramer of Newcastle disease virus
Descriptor: NDV P protein, RNA-directed RNA polymerase L
Authors:Chen, Y, Jingyuan, C, Xiaoying, F.
Deposit date:2022-08-02
Release date:2023-02-15
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structure of the Newcastle Disease Virus L protein in complex with tetrameric phosphoprotein.
Nat Commun, 14, 2023
7YOT
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BU of 7yot by Molmil
Cryo-EM structure of RNA polymerase in complex with P protein tetramer of Newcastle disease virus
Descriptor: NDV P protein, RNA-directed RNA polymerase L
Authors:Chen, Y, Jingyuan, C.
Deposit date:2022-08-02
Release date:2023-02-15
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the Newcastle Disease Virus L protein in complex with tetrameric phosphoprotein.
Nat Commun, 14, 2023
7X3K
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BU of 7x3k by Molmil
Cryo-EM structure of RAC in the State C2 RNC-RAC complex
Descriptor: Ribosome-associated complex subunit SSZ1, Zuotin
Authors:Chen, Y, Gao, N.
Deposit date:2022-03-01
Release date:2022-06-29
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structural remodeling of ribosome associated Hsp40-Hsp70 chaperones during co-translational folding.
Nat Commun, 13, 2022
7X34
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BU of 7x34 by Molmil
Cryo-EM structure of RNC-RAC complex in presence of Ssb from S. cerevisiae 2
Descriptor: RNA (130-mer), Zuotin
Authors:Chen, Y, Gao, N.
Deposit date:2022-02-27
Release date:2022-06-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural remodeling of ribosome associated Hsp40-Hsp70 chaperones during co-translational folding.
Nat Commun, 13, 2022
8W6T
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BU of 8w6t by Molmil
NaS1 in IN/OUT state
Descriptor: Solute carrier family 13 member 1
Authors:Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
Deposit date:2023-08-29
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6G
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BU of 8w6g by Molmil
NaDC1 with inhibitor ACA
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid, CHOLESTEROL HEMISUCCINATE, ...
Authors:Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
Deposit date:2023-08-28
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6H
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BU of 8w6h by Molmil
NaS1 with sulfate - IN/IN state
Descriptor: CHOLESTEROL, SODIUM ION, SULFATE ION, ...
Authors:Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
Deposit date:2023-08-28
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6C
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BU of 8w6c by Molmil
CryoEM structure of NaDC1 with Citrate
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, CITRIC ACID, ...
Authors:Chi, X, Chen, Y, Li, Y, Dai, L, Zhang, Y, Shen, Y, Chen, Y, Shi, T, Yang, H, Wang, Z, Yan, R.
Deposit date:2023-08-28
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6D
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BU of 8w6d by Molmil
CryoEM structure of NaDC1 in apo state
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
Deposit date:2023-08-28
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6N
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BU of 8w6n by Molmil
NaS1 with sulfate in IN/OUT state
Descriptor: SODIUM ION, SULFATE ION, Solute carrier family 13 member 1
Authors:Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
Deposit date:2023-08-29
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6O
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BU of 8w6o by Molmil
NaS1 in IN/IN state
Descriptor: CHOLESTEROL, SODIUM ION, Solute carrier family 13 member 1
Authors:Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
Deposit date:2023-08-29
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
4U88
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BU of 4u88 by Molmil
Structure of the DNA-Binding Domain of the Response Regulator SaeR from Staphylococcus aureus
Descriptor: Transcriptional regulator SaeR
Authors:Liu, J.S, Huang, C.H, Yang, C.S, Chen, S.C, Chen, Y.
Deposit date:2014-08-01
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.355 Å)
Cite:Structure of the DNA-Binding Domain of the Response Regulator SaeR from Staphylococcus aureus
To Be Published
4UAI
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BU of 4uai by Molmil
Crystal structure of CXCL12 in complex with inhibitor
Descriptor: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
Authors:Smith, E.W, Chen, Y.
Deposit date:2014-08-09
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine.
J.Med.Chem., 57, 2014
1DT1
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BU of 1dt1 by Molmil
THERMUS THERMOPHILUS CYTOCHROME C552 SYNTHESIZED BY ESCHERICHIA COLI
Descriptor: CYTOCHROME C552, HEME C
Authors:Fee, J.A, Chen, Y, Hill, M.J, Gomez-Moran, E, Loehr, T, Ai, J, Thony-Meyer, L, Williams, P.A, Stura, E, Sridhar, V, McRee, D.E.
Deposit date:2000-01-10
Release date:2000-02-18
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Integrity of thermus thermophilus cytochrome c552 synthesized by Escherichia coli cells expressing the host-specific cytochrome c maturation genes, ccmABCDEFGH: biochemical, spectral, and structural characterization of the recombinant protein.
Protein Sci., 9, 2000
8W9Y
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The cryo-EM structure of human sphingomyelin synthase-related protein
Descriptor: Sphingomyelin synthase-related protein 1
Authors:Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y.
Deposit date:2023-09-06
Release date:2024-02-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 2024
4UA9
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CTX-M-14 Class A Beta-Lactamase in Complex with a Boronic Acid Acylation Transition State Analog at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015

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PDB entries from 2024-05-15

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