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7S1X
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BU of 7s1x by Molmil
Cryo-EM structure of human NKCC1 K289NA492EL671C bound with bumetanide
Descriptor: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, CHLORIDE ION, POTASSIUM ION, ...
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2021-09-02
Release date:2022-05-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
7S1Z
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BU of 7s1z by Molmil
Cryo-EM structure of Human NKCC1 K289NA492EL671C
Descriptor: Solute carrier family 12 member 2
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2021-09-02
Release date:2022-05-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
7S1Y
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BU of 7s1y by Molmil
Cryo-EM structure of human NKCC1 K289NA492E bound with bumetanide
Descriptor: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, CHLORIDE ION, POTASSIUM ION, ...
Authors:Zhao, Y.X, Cao, E.h.
Deposit date:2021-09-02
Release date:2022-05-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
6LNP
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BU of 6lnp by Molmil
Crystal structure of citrate Biosensor
Descriptor: CITRIC ACID, Fusion protein of Green fluorescent protein and Sensor histidine kinase CitA
Authors:Wen, Y, Campbell, R.
Deposit date:2019-12-31
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:High-Performance Intensiometric Direct- and Inverse-Response Genetically Encoded Biosensors for Citrate.
Acs Cent.Sci., 6, 2020
7TTI
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BU of 7tti by Molmil
Human KCC1 bound with VU0463271 In an outward-open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide, Solute carrier family 12 member 4
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2022-02-01
Release date:2022-06-29
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TTH
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BU of 7tth by Molmil
Human potassium-chloride cotransporter 1 in inward-open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4
Authors:Zhao, Y.X, Cao, E.H.
Deposit date:2022-02-01
Release date:2022-06-29
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
1VBS
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BU of 1vbs by Molmil
STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE
Descriptor: CYCLOPHILIN A, TETRAPEPTIDE
Authors:Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H.
Deposit date:1998-06-16
Release date:1999-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping the stereospecificity of peptidyl prolyl cis/trans isomerases.
FEBS Lett., 432, 1998
4D8Z
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BU of 4d8z by Molmil
Crystal structure of B. anthracis DHPS with compound 24
Descriptor: (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D, Lee, R.E, White, S.W.
Deposit date:2012-01-11
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
4DAI
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BU of 4dai by Molmil
Crystal structure of B. anthracis DHPS with compound 23
Descriptor: (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D, Lee, R.E, White, S.W.
Deposit date:2012-01-12
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
4DB7
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BU of 4db7 by Molmil
Crystal structure of B. anthracis DHPS with compound 25
Descriptor: 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D, Lee, R.E, White, S.W.
Deposit date:2012-01-13
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
4D8A
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BU of 4d8a by Molmil
Crystal structure of B. anthracis DHPS with compound 21
Descriptor: Dihydropteroate synthase, LYSINE, SULFATE ION, ...
Authors:Hammoudeh, D, Lee, R.E, White, S.W.
Deposit date:2012-01-10
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.183 Å)
Cite:Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
4D9P
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BU of 4d9p by Molmil
Crystal structure of B. anthracis DHPS with compound 17
Descriptor: (3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D, Lee, R.E, White, S.W.
Deposit date:2012-01-11
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
7B4X
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BU of 7b4x by Molmil
Notum complex with ARUK3002697
Descriptor: 1,2-ETHANEDIOL, 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one, DIMETHYL SULFOXIDE, ...
Authors:Jones, E.Y, Fish, P.
Deposit date:2020-12-02
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
4DAF
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BU of 4daf by Molmil
Crystal structure of B. anthracis DHPS with compound 19
Descriptor: (2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D, Lee, R.E, White, S.W.
Deposit date:2012-01-12
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
7CIR
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BU of 7cir by Molmil
Peptide phosphorylation modification of MHC class I molecules
Descriptor: ARG-ARG-PHE-SEP-ARG-SER-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen
Authors:Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F.
Deposit date:2020-07-08
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
7CIQ
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BU of 7ciq by Molmil
Phosphorylation modification of MHC I polypeptide
Descriptor: ARG-ARG-PHE-SER-ARG-SER-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen
Authors:Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F.
Deposit date:2020-07-08
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
7CIS
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BU of 7cis by Molmil
Peptide modification of MHC class I molecules
Descriptor: ARG-ARG-PHE-SEP-ARG-SEP-PRO-ILE-ARG, Beta-2-microglobulin, MHC class I antigen
Authors:Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F.
Deposit date:2020-07-08
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
6IWT
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BU of 6iwt by Molmil
Crystal structure of methyltransferase COMT-S in P. praeruptorum
Descriptor: DI(HYDROXYETHYL)ETHER, Pmethyltransferase pCOMT-S
Authors:Wang, N.N, Zeng, Z.X.
Deposit date:2018-12-06
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:The Molecular and Structural Basis ofO-methylation Reaction in Coumarin Biosynthesis inPeucedanum praeruptorumDunn.
Int J Mol Sci, 20, 2019
6KZP
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BU of 6kzp by Molmil
calcium channel-ligand
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yan, N.
Deposit date:2019-09-25
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of apo and antagonist-bound human Cav3.1.
Nature, 576, 2019
6KZO
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BU of 6kzo by Molmil
membrane protein
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yan, N.
Deposit date:2019-09-25
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of apo and antagonist-bound human Cav3.1.
Nature, 576, 2019
4Z7L
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BU of 4z7l by Molmil
Crystal structure of Cas6b
Descriptor: Cas6b, RNA (5'-R(*GP*CP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*GP*C)-3'), SULFATE ION
Authors:Li, H.
Deposit date:2015-04-07
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:A Non-Stem-Loop CRISPR RNA Is Processed by Dual Binding Cas6.
Structure, 24, 2016
4Z7K
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BU of 4z7k by Molmil
Crystal structure of CRISPR RNA processing endoribonuclease Cas6b
Descriptor: Cas6b, RNA/DNA Hybrid (31-MER)
Authors:Li, H.
Deposit date:2015-04-07
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Non-Stem-Loop CRISPR RNA Is Processed by Dual Binding Cas6.
Structure, 24, 2016
7DYN
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BU of 7dyn by Molmil
Phosphorylation of MHC I peptide
Descriptor: ARG-ARG-PHE-SEP-ARG-SEP-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen
Authors:Sun, M.W, Feng, L, Qi, J.X, Liu, W.J.
Deposit date:2021-01-22
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
7XF3
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BU of 7xf3 by Molmil
The structure of HLA-B*1501/BM58-66AF9
Descriptor: 9-mer peptide from Matrix protein 1, Beta-2-microglobulin, MHC class I antigen
Authors:Zhao, Y.Z, Xiao, W.L, Wu, Y.N, Fan, W.F, Yue, C, Zhang, Q.X, Zhang, D.N, Yuan, X.J, Yao, S.J, Liu, S, Li, M, Wang, P.Y, Zhang, H.J, Zhang, J, Zhao, M, Zheng, X.Q, Liu, W.J, Gao, G.F, Liu, W.L.
Deposit date:2022-03-31
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Parallel T Cell Immunogenic Regions in Influenza B and A Viruses with Distinct Nuclear Export Signal Functions: The Balance between Viral Life Cycle and Immune Escape.
J Immunol., 210, 2023
8J9Z
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BU of 8j9z by Molmil
cryo-EM structure of viral topoisomerase in conformation 2
Descriptor: DNA topoisomerase 2
Authors:Deng, Z.
Deposit date:2023-05-05
Release date:2023-08-16
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Cryo-EM structures of African swine fever virus topoisomerase.
Mbio, 14, 2023

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