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4CRU
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BU of 4cru by Molmil
Complex of human CNOT9 and CNOT1 including one tryptophan
Descriptor: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, CELL DIFFERENTIATION PROTEIN RCD1 HOMOLOG, GLYCEROL
Authors:Chen, Y, Boland, A, Izaurralde, E, Weichenrieder, O.
Deposit date:2014-03-01
Release date:2014-05-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Ddx6-Cnot1 Complex and W-Binding Pockets in Cnot9 Reveal Direct Links between Mirna Target Recognition and Silencing
Mol.Cell, 54, 2014
7YK6
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BU of 7yk6 by Molmil
Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex
Descriptor: 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine, 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:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
Deposit date:2022-07-21
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
7YJ4
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BU of 7yj4 by Molmil
Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi complex
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-2, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
Deposit date:2022-07-19
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
7YK7
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BU of 7yk7 by Molmil
Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex
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-2, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Xu, H.E, Yang, D.H, Liu, H, Wang, M.W.
Deposit date:2022-07-21
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
1CZ8
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BU of 1cz8 by Molmil
VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH AN AFFINITY MATURED ANTIBODY
Descriptor: HEAVY CHAIN OF NEUTRALIZING ANTIBODY, LIGHT CHAIN OF NEUTRALIZING ANTIBODY, SULFATE ION, ...
Authors:Chen, Y, Wiesmann, C, Fuh, G, Li, B, Christinger, H.W, McKay, P, de Vos, A.M, Lowman, H.B.
Deposit date:1999-09-01
Release date:2000-03-20
Last modified:2017-04-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selection and analysis of an optimized anti-VEGF antibody: crystal structure of an affinity-matured Fab in complex with antigen.
J.Mol.Biol., 293, 1999
6AVP
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BU of 6avp by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Phosphate-MeO-N5Pan
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ...
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-04
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWG
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BU of 6awg by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan
Descriptor: (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
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 (2.4 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWH
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BU of 6awh by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ATP and pantothenate analog Deoxy-MeO-N5Pan
Descriptor: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
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 (1.9 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWJ
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BU of 6awj by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-MeO-N5Pan with pantothenate present in reaction
Descriptor: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, 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 (2.5 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWI
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BU of 6awi by Molmil
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
2P74
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BU of 2p74 by Molmil
CTX-M-9 class A beta-lactamase apo crystal structure at 0.88 Angstrom resolution
Descriptor: Beta-lactamase CTX-M-9a, PHOSPHATE ION, POTASSIUM ION
Authors:Chen, Y, Bonnet, R, Shoichet, B.K.
Deposit date:2007-03-19
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:The Acylation Mechanism of CTX-M beta-Lactamase at 0.88 A Resolution.
J.Am.Chem.Soc., 129, 2007
1AX3
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BU of 1ax3 by Molmil
SOLUTION NMR STRUCTURE OF B. SUBTILIS IIAGLC, 16 STRUCTURES
Descriptor: GLUCOSE PERMEASE IIA DOMAIN
Authors:Chen, Y, Case, D.A, Reizer, J, Saier Junior, M.H, Wright, P.E.
Deposit date:1997-10-25
Release date:1998-06-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-resolution solution structure of Bacillus subtilis IIAglc.
Proteins, 31, 1998
7WVD
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BU of 7wvd by Molmil
Crystal structure of H14 complexed with SIA28
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 SIA28, ...
Authors:Chen, Y, Qi, J, Gao, G.F.
Deposit date:2022-02-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7WVI
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BU of 7wvi by Molmil
Crystal structure of SIA28
Descriptor: Heavy chain of SIA28, Light chain of SIA28
Authors:Chen, Y, Qi, J, Gao, G.F.
Deposit date:2022-02-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7WVG
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BU of 7wvg by Molmil
Crystal structure of H18 complexed with SIA28
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 SIA28, ...
Authors:Chen, Y, Qi, J, Gao, G.F.
Deposit date:2022-02-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7WVB
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BU of 7wvb by Molmil
Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
Descriptor: Fructose-1,6-bisphosphatase 1
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2022-02-10
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
To Be Published
8UAP
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BU of 8uap by Molmil
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441
Descriptor: (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5
Authors:Chen, Y, Tesmer, J.J.G.
Deposit date:2023-09-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
8UAQ
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BU of 8uaq by Molmil
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21
Descriptor: (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5
Authors:Chen, Y, Tesmer, J.J.G.
Deposit date:2023-09-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
4V90
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BU of 4v90 by Molmil
Thermus thermophilus Ribosome
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Chen, Y, Feng, S, Kumar, V, Ero, R, Gao, Y.G.
Deposit date:2014-02-22
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of EF-G-ribosome complex in a pretranslocation state.
Nat. Struct. Mol. Biol., 20, 2013
3G32
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BU of 3g32 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 6 (3G3)
Descriptor: 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Y
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BU of 3g2y by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 1 (GF4)
Descriptor: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G31
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BU of 3g31 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1)
Descriptor: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G30
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BU of 3g30 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 3 (G30)
Descriptor: (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid, Beta-lactamase CTX-M-9a
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Z
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BU of 3g2z by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 2 (GZ2)
Descriptor: 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G35
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BU of 3g35 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)
Descriptor: 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009

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