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PDB: 22172 results

5WW9
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Crystal structure of R73E mutant of the second DNA-Binding protein under starvation from Mycobacterium smegmatis
Descriptor: CHLORIDE ION, FE (III) ION, MAGNESIUM ION, ...
Authors:Williams, S.M, Chatterji, D.
Deposit date:2016-12-31
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flexible aspartates propel iron to the ferroxidation sites along pathways stabilized by a conserved arginine in Dps proteins from Mycobacterium smegmatis
Metallomics, 9, 2017
7ZKA
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BU of 7zka by Molmil
ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC
Descriptor: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ...
Authors:Parey, K, Januliene, D, Gewering, T, Urbatsch, I, Zhang, Q, Moeller, A.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
5WI0
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BU of 5wi0 by Molmil
Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
Descriptor: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-07-18
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
7ZK5
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BU of 7zk5 by Molmil
ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC
Descriptor: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ...
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
7ZK6
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BU of 7zk6 by Molmil
ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC
Descriptor: (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
7ZK9
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BU of 7zk9 by Molmil
ABCB1 L971C mutant (mABCB1) in the inward facing state
Descriptor: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1
Authors:Parey, K, Januliene, D, Gewering, T, Zhang, Q, Moeller, A.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
6GYS
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BU of 6gys by Molmil
Cryo-EM structure of the CBF3-CEN3 complex of the budding yeast kinetochore
Descriptor: Centromere DNA-binding protein complex CBF3 subunit A, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ...
Authors:Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
Deposit date:2018-07-01
Release date:2018-12-05
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Architecture of the CBF3-centromere complex of the budding yeast kinetochore.
Nat. Struct. Mol. Biol., 25, 2018
1A6Q
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BU of 1a6q by Molmil
CRYSTAL STRUCTURE OF THE PROTEIN SERINE/THREONINE PHOSPHATASE 2C AT 2 A RESOLUTION
Descriptor: MANGANESE (II) ION, PHOSPHATASE 2C, PHOSPHATE ION
Authors:Das, A.K, Helps, N.R, Cohen, P.T.W, Barford, D.
Deposit date:1998-02-27
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the protein serine/threonine phosphatase 2C at 2.0 A resolution.
EMBO J., 15, 1996
8DM3
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BU of 8dm3 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with Fab 4A8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 4A8 heavy chain, ...
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
6GYP
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BU of 6gyp by Molmil
Cryo-EM structure of the CBF3-core-Ndc10-DBD complex of the budding yeast kinetochore
Descriptor: ARGININE, ASPARAGINE, Centromere DNA-binding protein complex CBF3 subunit A, ...
Authors:Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
Deposit date:2018-07-01
Release date:2018-12-05
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Architecture of the CBF3-centromere complex of the budding yeast kinetochore.
Nat. Struct. Mol. Biol., 25, 2018
7ZK4
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BU of 7zk4 by Molmil
The ABCB1 L335C mutant (mABCB1) in the outward facing state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ...
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
7JXC
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BU of 7jxc by Molmil
Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology
Descriptor: NONAETHYLENE GLYCOL, S2H14 antigen-binding (Fab) fragment
Authors:Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-27
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
8DM2
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BU of 8dm2 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein (focused refinement of NTD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
158D
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BU of 158d by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF C-C-A-A-G-C-T-T-G-G AND ITS IMPLICATIONS FOR BENDING IN B-DNA
Descriptor: CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*GP*CP*TP*TP*GP*G)-3')
Authors:Grzeskowiak, K, Goodsell, D.S, Kaczor-Grzeskowiak, M, Cascio, D, Dickerson, R.E.
Deposit date:1994-02-03
Release date:1994-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic analysis of C-C-A-A-G-C-T-T-G-G and its implications for bending in B-DNA.
Biochemistry, 32, 1993
7ZRB
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BU of 7zrb by Molmil
Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
Descriptor: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
Authors:Capelli, D, Pochetti, G, Montanari, R.
Deposit date:2022-05-04
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.434 Å)
Cite:Novel N -(Heterocyclylphenyl)benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the beta-Catenin Armadillo Repeats Domain as an Anticancer Agent.
Acs Pharmacol Transl Sci, 6, 2023
5WFG
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BU of 5wfg by Molmil
Crystal structure of the TarA wall teichoic acid glycosyltransferase bound to UDP
Descriptor: N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Kattke, M.D, Cascio, D, Sawaya, M.R, Clubb, R.T.
Deposit date:2017-07-11
Release date:2019-01-16
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of TagA, a novel membrane-associated glycosyltransferase that produces wall teichoic acids in pathogenic bacteria.
Plos Pathog., 15, 2019
8DM1
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BU of 8dm1 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
7ZKB
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BU of 7zkb by Molmil
ABCB1 V978C mutant (mABCB1) in the inward facing state
Descriptor: (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
8DM4
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BU of 8dm4 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with Fab 4A8 (focused refinement of NTD and 4A8)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 4A8 heavy chain, ...
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
7ZK8
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BU of 7zk8 by Molmil
ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC
Descriptor: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ...
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2022-04-12
Release date:2023-04-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
5WI1
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BU of 5wi1 by Molmil
Crystal structure of human NAMPT with fragment 5: (3E)-3-[(phenylamino)methylidene]oxan-2-one
Descriptor: (3E)-3-[(phenylamino)methylidene]oxan-2-one, Nicotinamide phosphoribosyltransferase, SULFATE ION
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-07-18
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
6ZLY
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BU of 6zly by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a)
Descriptor: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities.
J.Med.Chem., 63, 2020
8DMA
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BU of 8dma by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DM6
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BU of 8dm6 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DM7
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BU of 8dm7 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with mouse ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023

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