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8JNP
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BU of 8jnp by Molmil
Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with the substrate ikarugamycin
Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450 CftA, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, P, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JOO
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BU of 8joo by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin
Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-08
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JNO
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BU of 8jno by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF
Descriptor: (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
6J11
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BU of 6j11 by Molmil
MERS-CoV spike N-terminal domain and 7D10 scFv complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-terminal domain of Spike glycoprotein, ...
Authors:Zhou, H, Zhang, S, Zhang, S, Tang, W, Wang, X.
Deposit date:2018-12-27
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural definition of a neutralization epitope on the N-terminal domain of MERS-CoV spike glycoprotein.
Nat Commun, 10, 2019
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
Descriptor: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
8DKG
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BU of 8dkg by Molmil
Structure of PYCR1 Thr171Met variant complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Meeks, K.R, Tanner, J.J.
Deposit date:2022-07-05
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Functional Impact of a Cancer-Related Variant in Human Delta 1 -Pyrroline-5-Carboxylate Reductase 1.
Acs Omega, 8, 2023
7TJQ
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BU of 7tjq by Molmil
SAN27-14 bound to a antigenic site V on prefusion-stabilized hMPV F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MPE8 Fab heavy chain, ...
Authors:Hsieh, C.-L, McLellan, J.S, Rush, S.A.
Deposit date:2022-01-16
Release date:2022-09-14
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Characterization of prefusion-F-specific antibodies elicited by natural infection with human metapneumovirus.
Cell Rep, 40, 2022
7TL0
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BU of 7tl0 by Molmil
Cryo-EM structure of hMPV preF bound by Fabs MPE8 and SAN32-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ...
Authors:Rush, S.A, Hsieh, C.-L, McLellan, J.S.
Deposit date:2022-01-17
Release date:2022-09-14
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Characterization of prefusion-F-specific antibodies elicited by natural infection with human metapneumovirus.
Cell Rep, 40, 2022
8JXZ
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BU of 8jxz by Molmil
Chitin binding SusD-like protein AqSusD in complex with (GlcNAc)3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SusD-like protein AqSusD
Authors:Yang, J.
Deposit date:2023-07-01
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights of a SusD-like protein in marine Bacteroidetes bacteria reveal the molecular basis for chitin recognition and acquisition.
Febs J., 291, 2024
8JUA
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BU of 8jua by Molmil
Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin
Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-26
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.00001121 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
6VU5
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BU of 6vu5 by Molmil
Structure of G-alpha-q bound to its chaperone Ric-8A
Descriptor: Guanine nucleotide-binding protein G(q) subunit alpha, Resistance to inhibitors of cholinesterase-8A (Ric-8A)
Authors:Seven, A.B, Hilger, D.
Deposit date:2020-02-14
Release date:2020-03-18
Last modified:2020-03-25
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of G alpha Proteins in Complex with Their Chaperone Reveal Quality Control Mechanisms.
Cell Rep, 30, 2020
4M58
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BU of 4m58 by Molmil
Crystal Structure of an transition metal transporter
Descriptor: Cobalamin biosynthesis protein CbiM, NICKEL (II) ION
Authors:Yu, Y, Yan, C.Y, Zhang, B, Li, X.L, Gu, J.K.
Deposit date:2013-08-08
Release date:2014-03-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters
Cell Res., 24, 2014
4FZA
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BU of 4fza by Molmil
Crystal structure of MST4-MO25 complex
Descriptor: Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2012-07-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
6VU8
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BU of 6vu8 by Molmil
Structure of G-alpha-i bound to its chaperone Ric-8A
Descriptor: Guanine nucleotide-binding protein G(i) subunit alpha-1, Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans)
Authors:Seven, A.B, Hilger, D.
Deposit date:2020-02-14
Release date:2020-03-18
Last modified:2020-03-25
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:Structures of G alpha Proteins in Complex with Their Chaperone Reveal Quality Control Mechanisms.
Cell Rep, 30, 2020
3RZ2
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BU of 3rz2 by Molmil
Crystal of Prl-1 complexed with peptide
Descriptor: Prl-1 (PTP4A1), Protein tyrosine phosphatase type IVA 1
Authors:Zhang, Z.-Y, Liu, D, Bai, Y.
Deposit date:2011-05-11
Release date:2011-10-26
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:PRL-1 protein promotes ERK1/2 and RhoA protein activation through a non-canonical interaction with the Src homology 3 domain of p115 Rho GTPase-activating protein.
J.Biol.Chem., 286, 2011
6UMI
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BU of 6umi by Molmil
Crystal structure of erenumab Fab-b
Descriptor: erenumab Fab heavy chain, IgG1, erenumab Fab light chain
Authors:Mohr, C.
Deposit date:2019-10-09
Release date:2020-02-12
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6UMH
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BU of 6umh by Molmil
Crystal structure of erenumab Fab-a
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-PROPANDIOL, PHOSPHATE ION, ...
Authors:Mohr, C.
Deposit date:2019-10-09
Release date:2020-02-12
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6VXQ
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BU of 6vxq by Molmil
Bruton's tyrosine kinase in complex with compound 5
Descriptor: DIMETHYL SULFOXIDE, N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide, Tyrosine-protein kinase BTK
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2020-02-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
6W06
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BU of 6w06 by Molmil
Bruton's tyrosine kinase in complex with compound 6
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2020-02-29
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
5ZF2
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BU of 5zf2 by Molmil
Crystal structure of Trxlp from Edwardsiella tarda EIB202
Descriptor: SULFATE ION, Thioredoxin (H-type,TRX-H)
Authors:Yang, C, Quan, S.
Deposit date:2018-03-02
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Edwardsiella piscicida thioredoxin-like protein inhibits ASK1-MAPKs signaling cascades to promote pathogenesis during infection.
Plos Pathog., 15, 2019
6TCL
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BU of 6tcl by Molmil
Photosystem I tetramer
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Chen, M, Perez-Boerema, A, Li, S, Amunts, A.
Deposit date:2019-11-06
Release date:2020-02-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Distinct structural modulation of photosystem I and lipid environment stabilizes its tetrameric assembly.
Nat.Plants, 6, 2020

223790

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