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7ZYJ
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BU of 7zyj by Molmil
Leishmania tarentolae proteasome 20S subunit in complex with compound 2
Descriptor: Proteasome alpha 1 subunit, putative, Proteasome alpha 5 subunit, ...
Authors:Srinivas, H.
Deposit date:2022-05-24
Release date:2022-09-28
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Discovery of Novel Quinoline-Based Proteasome Inhibitors for Human African Trypanosomiasis (HAT).
J.Med.Chem., 65, 2022
7ZYG
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BU of 7zyg by Molmil
CryoEM structure of Ku heterodimer bound to DNA, PAXX and XLF
Descriptor: DNA, Non-homologous end-joining factor 1, PHOSPHATE ION, ...
Authors:Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K.
Deposit date:2022-05-24
Release date:2023-06-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
7ZYF
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BU of 7zyf by Molmil
Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based inhibitor.
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mpakali, A, Stratikos, E, Giastas, P, Papakyriakou, A.
Deposit date:2022-05-24
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin.
J.Med.Chem., 65, 2022
7ZYD
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BU of 7zyd by Molmil
Structure of Compound 6 Bound to CK2alpha
Descriptor: 5-bromanyl-6-chloranyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Hyvonen, M.
Deposit date:2022-05-24
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.404 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZYC
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BU of 7zyc by Molmil
BeKdgF with Zn
Descriptor: Cupin, GLYCEROL, ZINC ION
Authors:Fredslund, F, Teze, D, Welner, D.H.
Deposit date:2022-05-24
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:BeKdgF with Ca
To Be Published
7ZYB
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BU of 7zyb by Molmil
BeKdgF with Ca
Descriptor: CALCIUM ION, Cupin, GLYCEROL
Authors:Fredslund, F, Teze, D, Welner, D.H.
Deposit date:2022-05-24
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BeKdgF with Ca
To Be Published
7ZYA
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BU of 7zya by Molmil
Structure of Chit33 from Trichoderma harzianum.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endochitinase 33, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2022-05-24
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
7ZY9
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BU of 7zy9 by Molmil
Structure of D165A/D167A double mutant of Chit33 from Trichoderma harzianum complexed with chitintetraose.
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endochitinase 33
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2022-05-24
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
7ZY8
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BU of 7zy8 by Molmil
Crystal structure of compound 2 bound to CK2alpha
Descriptor: 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-24
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZY6
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BU of 7zy6 by Molmil
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
Descriptor: 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine, HUMAN PROTO-ONCOGENE C-KIT
Authors:Graedler, U, Lammens, A.
Deposit date:2022-05-24
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
7ZY4
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BU of 7zy4 by Molmil
Crystal structure of human CstF77 in complex with hFip1
Descriptor: Cleavage stimulation factor subunit 3, GLYCEROL, hFip1
Authors:Muckenfuss, L.M, Jinek, M.
Deposit date:2022-05-23
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fip1 is a multivalent interaction scaffold for processing factors in human mRNA 3' end biogenesis.
Elife, 11, 2022
7ZY2
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BU of 7zy2 by Molmil
Crystal structure of compound 7 bound to CK2alpha
Descriptor: 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZY0
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BU of 7zy0 by Molmil
Crystal structure of compound 7 bound to CK2alpha
Descriptor: 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZXU
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BU of 7zxu by Molmil
SARS-CoV-2 Omicron BA.4/5 RBD in complex with Beta-27 Fab and C1 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-27 heavy chain, Beta-27 light chain, ...
Authors:Huo, J, Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2022-05-23
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Antibody escape of SARS-CoV-2 Omicron BA.4 and BA.5 from vaccine and BA.1 serum.
Cell, 185, 2022
7ZXT
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BU of 7zxt by Molmil
cryo-EM structure of Connexin 32 W3S mutation hemi channel
Descriptor: Gap junction beta-1 protein
Authors:Qi, C, Korkhov, V.M.
Deposit date:2022-05-22
Release date:2023-05-31
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels.
Sci Adv, 9, 2023
7ZXQ
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BU of 7zxq by Molmil
cryo-EM structure of Connexin 32 R22G mutation hemi channel
Descriptor: Gap junction beta-1 protein
Authors:Qi, C, Korkhov, V.M.
Deposit date:2022-05-22
Release date:2023-05-31
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels.
Sci Adv, 9, 2023
7ZXP
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BU of 7zxp by Molmil
cryo-EM structure of Connexin 32 R22G mutation gap junction channel
Descriptor: Gap junction beta-1 protein
Authors:Qi, C, Korkhov, V.M.
Deposit date:2022-05-22
Release date:2023-05-31
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels.
Sci Adv, 9, 2023
7ZXO
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BU of 7zxo by Molmil
cryo-EM structure of Connexin 32 gap junction channel
Descriptor: Gap junction beta-1 protein
Authors:Qi, C, Korkhov, V.M.
Deposit date:2022-05-21
Release date:2023-05-31
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels.
Sci Adv, 9, 2023
7ZXN
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BU of 7zxn by Molmil
cryo-EM structure of Connexin 32 gap junction channel
Descriptor: CHOLESTEROL, Gap junction beta-1 protein
Authors:Qi, C, Korkhov, V.M.
Deposit date:2022-05-21
Release date:2023-05-31
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels.
Sci Adv, 9, 2023
7ZXM
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BU of 7zxm by Molmil
cryo-EM structure of Connexin 32 gap junction channel
Descriptor: Gap junction beta-1 protein
Authors:Qi, C, Korkhov, V.M.
Deposit date:2022-05-21
Release date:2023-05-31
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.14 Å)
Cite:Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels.
Sci Adv, 9, 2023
7ZXE
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BU of 7zxe by Molmil
Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (OC)
Descriptor: Non-template strand, TATA-box-binding protein, Template strand, ...
Authors:Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P.
Deposit date:2022-05-20
Release date:2022-11-30
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
7ZX8
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BU of 7zx8 by Molmil
Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (OC)
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P.
Deposit date:2022-05-20
Release date:2022-12-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
7ZX7
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BU of 7zx7 by Molmil
Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (CC)
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P.
Deposit date:2022-05-20
Release date:2022-11-30
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
7ZX4
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BU of 7zx4 by Molmil
Clathrin N-terminal domain in complex with a HURP phospho-peptide
Descriptor: CHLORIDE ION, Clathrin heavy chain 1, Disks large-associated protein 5, ...
Authors:Kliche, J, Badgujar, D, Dobritzsch, D, Ivarsson, Y.
Deposit date:2022-05-20
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Large-scale phosphomimetic screening identifies phospho-modulated motif-based protein interactions.
Mol.Syst.Biol., 19, 2023
7ZX2
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BU of 7zx2 by Molmil
Tubulin-Pelophen B complex
Descriptor: (3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Estevez-Gallego, J, Diaz, J.F, Van der Eycken, J, Oliva, M.A.
Deposit date:2022-05-20
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023

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PDB entries from 2024-08-14

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