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3ZLK
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BU of 3zlk by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE
Authors:Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
Deposit date:2013-02-01
Release date:2013-02-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4BML
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BU of 4bml by Molmil
C-alpha backbone trace of major capsid protein gp39 found in marine virus Syn5.
Descriptor: MAJOR CAPSID PROTEIN
Authors:Gipson, P, Baker, M.L, Raytcheva, D, Haase-Pettingell, C, Piret, J, King, J, Chiu, W.
Deposit date:2013-05-09
Release date:2014-05-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Protruding Knob-Like Proteins Violate Local Symmetries in an Icosahedral Marine Virus.
Nat.Commun., 5, 2014
4XT3
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BU of 4xt3 by Molmil
Structure of a viral GPCR bound to human chemokine CX3CL1
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, Fractalkine, G-protein coupled receptor homolog US28, ...
Authors:Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C.
Deposit date:2015-01-22
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.801 Å)
Cite:Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor.
Science, 347, 2015
4XT1
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BU of 4xt1 by Molmil
Structure of a nanobody-bound viral GPCR bound to human chemokine CX3CL1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Fractalkine, ...
Authors:Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C.
Deposit date:2015-01-22
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor.
Science, 347, 2015
4ZOG
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BU of 4zog by Molmil
VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-METHOXYETHANOL, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, ...
Authors:Kyomuhendo, P, Narayanan, D, Engh, R.A.
Deposit date:2015-05-06
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:VX-680/MK-0457 binds also to human ABL1 with inactive DFG conformations.
To Be Published
4F0A
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BU of 4f0a by Molmil
Crystal structure of XWnt8 in complex with the cysteine-rich domain of Frizzled 8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-8, PALMITOLEIC ACID, ...
Authors:Janda, C.Y, Waghray, D, Levin, A.M, Thomas, C, Garcia, K.C.
Deposit date:2012-05-03
Release date:2012-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural basis of Wnt recognition by Frizzled.
Science, 337, 2012
2OY0
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BU of 2oy0 by Molmil
Crystal structure of the West Nile virus methyltransferase
Descriptor: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Li, H.M, Zhao, Y.W, Guo, Y, Shi, P.Y.
Deposit date:2007-02-21
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and Function of Flavivirus NS5 Methyltransferase.
J.Virol., 81, 2007
7TD0
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BU of 7td0 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD2
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BU of 7td2 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD3
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BU of 7td3 by Molmil
Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD1
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BU of 7td1 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD4
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BU of 7td4 by Molmil
Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
Deposit date:2021-12-30
Release date:2022-02-09
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
8PEE
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BU of 8pee by Molmil
ABCB1 L335C mutant (mABCB1) in the inward facing state bound to 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, ATP-dependent translocase ABCB1, ...
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2023-06-13
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
4ZLR
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BU of 4zlr by Molmil
Structure of the Brat-NHL domain bound to consensus RNA motif
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brain tumor protein, PENTAETHYLENE GLYCOL, ...
Authors:Jakob, L, Treiber, N, Treiber, T, Stotz, M, Loedige, I, Meister, G.
Deposit date:2015-05-01
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of the NHL Domain in Complex with RNA Reveals the Molecular Basis of Drosophila Brain-Tumor-Mediated Gene Regulation.
Cell Rep, 13, 2015
6V0N
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BU of 6v0n by Molmil
PRMT5 bound to PBM peptide from Riok1
Descriptor: Methylosome protein 50, Protein arginine N-methyltransferase 5, Riok1 PBM peptide, ...
Authors:McMIllan, B.J, Raymond, D.D.
Deposit date:2019-11-19
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Molecular basis for substrate recruitment to the PRMT5 methylosome.
Mol.Cell, 81, 2021
6V0O
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BU of 6v0o by Molmil
PRMT5 bound to the PBM peptide from pICln
Descriptor: ACETYL GROUP, Methylosome protein 50, PBM peptide, ...
Authors:McMillan, B.J, Raymond, D.D.
Deposit date:2019-11-19
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Molecular basis for substrate recruitment to the PRMT5 methylosome.
Mol.Cell, 81, 2021
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
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
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
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
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
8AVY
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BU of 8avy by Molmil
The ABCB1 L335C mutant (mABCB1) in the Apo state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ...
Authors:Parey, K, Januliene, D, Gewering, T, Moeller, A.
Deposit date:2022-08-27
Release date:2023-09-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
8VSP
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BU of 8vsp by Molmil
Cryo-EM structure of human invariant chain in complex with HLA-DQ
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, ...
Authors:Wang, N, Caveney, N.A, Jude, K.M, Garcia, K.C.
Deposit date:2024-01-24
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural insights into human MHC-II association with invariant chain.
Proc.Natl.Acad.Sci.USA, 121, 2024

224201

数据于2024-08-28公开中

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