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8INA
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BU of 8ina by Molmil
Crystal structure of UGT74AN3-UDP
Descriptor: GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Long, F, Huang, W.
Deposit date:2023-03-09
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
9C7W
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BU of 9c7w by Molmil
human OC43 Main Protease (1-303) in complex with potent inhibitor
Descriptor: (8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine, ORF1ab polyprotein
Authors:Tang, J.Y, Knapp, M.S.
Deposit date:2024-06-11
Release date:2024-10-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Identification of Potent, Broad-Spectrum Coronavirus Main Protease Inhibitors for Pandemic Preparedness.
J.Med.Chem., 2024
5TKK
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BU of 5tkk by Molmil
Structure of mouse vaccination-elicited HIV neutralizing antibody vFP5.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide residue 512-519, mouse antibody vFP5.01 heavy chain, mouse antibody vFP5.01 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2016-10-06
Release date:2018-04-04
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
8JBH
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BU of 8jbh by Molmil
Substance P bound to active human neurokinin 3 receptor in complex with Gq
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 Gq subunit alpha (G324), ...
Authors:Sun, W.J, Yang, F, Zhang, H.H, Yuan, Q.N, Yin, W.C, Shi, P, Eric, X, Tian, C.L.
Deposit date:2023-05-08
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into neurokinin 3 receptor activation by endogenous and analogue peptide agonists.
Cell Discov, 9, 2023
8JBG
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BU of 8jbg by Molmil
Neurokinin B bound to active human neurokinin 3 receptor in complex with Gq
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 Gq (G324), ...
Authors:Sun, W.J, Yang, F, Zhang, H.H, Yuan, Q.N, Yin, W.C, Shi, P, Eric, X, Tian, C.L.
Deposit date:2023-05-08
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into neurokinin 3 receptor activation by endogenous and analogue peptide agonists.
Cell Discov, 9, 2023
8JBF
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BU of 8jbf by Molmil
Senktide bound to active human neurokinin 3 receptor in complex with Gq
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 Gq subunit alpha, ...
Authors:Sun, W.J, Yang, F, Zhang, H.H, Yuan, Q.N, Yin, W.C, Shi, P, Eric, X, Tian, C.L.
Deposit date:2023-05-08
Release date:2024-02-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into neurokinin 3 receptor activation by endogenous and analogue peptide agonists.
Cell Discov, 9, 2023
8JZS
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BU of 8jzs by Molmil
Outward-facing SLC15A4 dimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, lysosomal transporter
Authors:Zhang, S.S, Chen, X.D, Xie, M.
Deposit date:2023-07-06
Release date:2023-09-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZU
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BU of 8jzu by Molmil
SLC15A4_TASL complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter,Green fluorescent protein, TSLAA-EGPF tag fusion protein
Authors:Zhang, S.S, Chen, X.D, Xie, M.
Deposit date:2023-07-06
Release date:2023-09-27
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZR
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BU of 8jzr by Molmil
Outward_facing SLC15A4 monomer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag
Authors:Zhang, S.S, Chen, X.D, Xie, M.
Deposit date:2023-07-06
Release date:2023-09-27
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JSW
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BU of 8jsw by Molmil
Human VMAT2 complex with serotonin
Descriptor: SEROTONIN, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-20
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JTC
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BU of 8jtc by Molmil
Human VMAT2 complex with reserpine
Descriptor: Synaptic vesicular amine transporter, reserpine
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JT9
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BU of 8jt9 by Molmil
Human VMAT2 complex with ketanserin
Descriptor: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8JTA
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BU of 8jta by Molmil
Human VMAT2 complex with tetrabenazine
Descriptor: Synaptic vesicular amine transporter, tetrabenazine
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-06-21
Release date:2023-11-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
8CIJ
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BU of 8cij by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
Descriptor: 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Musil, D, Toure, M.
Deposit date:2023-02-09
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.821 Å)
Cite:Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
7Y01
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BU of 7y01 by Molmil
Crystal structure of ZmMCM10 in complex with 16nt ssDNA at 2.8. Angstrom resolution
Descriptor: DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3'), MCM10 minichromosome maintenance deficient 10, ZINC ION
Authors:Du, X, Du, J.
Deposit date:2022-06-03
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:AtMCM10 promotes DNA replication-coupled nucleosome assembly in Arabidopsis.
J Integr Plant Biol, 65, 2023
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
Authors:Musil, D, Toure, M.
Deposit date:2023-02-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
6V9T
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BU of 6v9t by Molmil
Tudor domain of TDRD3 in complex with a small molecule
Descriptor: 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Tudor domain-containing protein 3, UNKNOWN ATOM OR ION
Authors:Li, W, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2019-12-16
Release date:2019-12-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
5TKJ
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BU of 5tkj by Molmil
Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide residue 512-519, SULFATE ION, vFP1.01 chimeric mouse antibody heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2016-10-06
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
8DTK
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BU of 8dtk by Molmil
Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ...
Authors:May, A.J, Manne, K, Acharya, P.
Deposit date:2022-07-25
Release date:2023-08-02
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates.
Biorxiv, 2023
7DSC
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BU of 7dsc by Molmil
CALHM1 open state with disordered CTH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
7DSD
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BU of 7dsd by Molmil
CALHM1 close state with disordered CTH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
7DSE
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BU of 7dse by Molmil
CALHM1 close state with ordered CTH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
8INO
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BU of 8ino by Molmil
Crystal structure of UGT74AN3 in complex UDP and PER
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, Glycosyltransferase, ...
Authors:Long, F, Huang, W.
Deposit date:2023-03-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
7E34
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BU of 7e34 by Molmil
Crystal structure of SUN1-Speedy A-CDK2
Descriptor: Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ...
Authors:Chen, Y, Huang, C, Wu, J, Lei, M.
Deposit date:2021-02-08
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The SUN1-SPDYA interaction plays an essential role in meiosis prophase I.
Nat Commun, 12, 2021
8I39
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BU of 8i39 by Molmil
Cryo-EM structure of abscisic acid transporter AtABCG25 with ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25
Authors:Huang, X, Zhang, X, Zhang, P.
Deposit date:2023-01-16
Release date:2023-09-13
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Nat.Plants, 9, 2023

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PDB entries from 2024-10-16

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