8H6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h6p by Molmil](/molmil-images/mine/8h6p) | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
|
|
8HBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hbd by Molmil](/molmil-images/mine/8hbd) | Cryo-EM structure of IRL1620-bound ETBR-Gi complex | Descriptor: | Endothelin receptor type B,Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, 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: | Yuan, Q, Ji, Y, Jiang, Y, Duan, J, Xu, H.E. | Deposit date: | 2022-10-28 | Release date: | 2023-03-22 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structural basis of peptide recognition and activation of endothelin receptors. Nat Commun, 14, 2023
|
|
8HCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hcx by Molmil](/molmil-images/mine/8hcx) | Cryo-EM structure of Endothelin1-bound ETBR-Gq complex | Descriptor: | Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J. | Deposit date: | 2022-11-03 | Release date: | 2023-03-22 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of peptide recognition and activation of endothelin receptors. Nat Commun, 14, 2023
|
|
8HBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hbw by Molmil](/molmil-images/mine/8hbw) | Structure of human UCP1 in the ATP-bound state | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CARDIOLIPIN, ... | Authors: | Chen, L, Kang, Y. | Deposit date: | 2022-10-31 | Release date: | 2023-06-21 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structural basis for the binding of DNP and purine nucleotides onto UCP1. Nature, 620, 2023
|
|
8HBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hbv by Molmil](/molmil-images/mine/8hbv) | Structure of human UCP1 in the nucleotide-free state | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, Mitochondrial brown fat uncoupling protein 1, ... | Authors: | Chen, L, Kang, Y. | Deposit date: | 2022-10-31 | Release date: | 2023-06-21 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Structural basis for the binding of DNP and purine nucleotides onto UCP1. Nature, 620, 2023
|
|
6NT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nt5 by Molmil](/molmil-images/mine/6nt5) | Cryo-EM structure of full-length human STING in the apo state | Descriptor: | Stimulator of interferon protein | Authors: | Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X. | Deposit date: | 2019-01-28 | Release date: | 2019-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP. Nature, 567, 2019
|
|
6ZFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zfp by Molmil](/molmil-images/mine/6zfp) | Cryo-EM structure of DNA-PKcs (State 2) | Descriptor: | DNA-dependent protein kinase catalytic subunit,DNA-PKcs,DNA-PKcs | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-17 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
|
|
7QO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qo4 by Molmil](/molmil-images/mine/7qo4) | 26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS) | Descriptor: | 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
|
|
6ZH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zh4 by Molmil](/molmil-images/mine/6zh4) | Cryo-EM structure of DNA-PKcs (State 3) | Descriptor: | DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-20 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
|
|
6NBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nbs by Molmil](/molmil-images/mine/6nbs) | WT ERK2 with compound 2507-8 | Descriptor: | (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ... | Authors: | Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N. | Deposit date: | 2018-12-10 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation. Acs Chem.Biol., 14, 2019
|
|
3D7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d7z by Molmil](/molmil-images/mine/3d7z) | |
5TXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5txo by Molmil](/molmil-images/mine/5txo) | STRUCTURE OF Q151M complex (A62V, V75I, F77L, F116Y, Q151M) mutant HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | Authors: | Das, K, Martinez, S.M, Arnold, E. | Deposit date: | 2016-11-17 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.546 Å) | Cite: | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance. Antimicrob. Agents Chemother., 61, 2017
|
|
7CJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cjb by Molmil](/molmil-images/mine/7cjb) | |
8VXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vxe by Molmil](/molmil-images/mine/8vxe) | Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6 | Descriptor: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14 | Authors: | Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
|
|
8SPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8spu by Molmil](/molmil-images/mine/8spu) | Structure of ESRRB nucleosome bound OCT4 at site c | Descriptor: | DNA (168-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | Authors: | Lian, T, Guan, R, Bai, Y. | Deposit date: | 2023-05-03 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural mechanism of LIN28B nucleosome targeting by OCT4. Mol.Cell, 83, 2023
|
|
8SPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sps by Molmil](/molmil-images/mine/8sps) | High resolution structure of ESRRB nucleosome bound OCT4 at site a and site b | Descriptor: | DNA (168-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | Authors: | Lian, T, Guan, R, Bai, Y. | Deposit date: | 2023-05-03 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural mechanism of LIN28B nucleosome targeting by OCT4. Mol.Cell, 83, 2023
|
|
3D83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d83 by Molmil](/molmil-images/mine/3d83) | Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide | Authors: | Somers, D.O. | Deposit date: | 2008-05-22 | Release date: | 2008-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes. Bioorg.Med.Chem.Lett., 18, 2008
|
|
3MEK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mek by Molmil](/molmil-images/mine/3mek) | Crystal Structure of Human Histone-Lysine N-methyltransferase SMYD3 in Complex with S-adenosyl-L-methionine | Descriptor: | S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ZINC ION | Authors: | Lam, R, Dombrovski, L, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-04-14 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Human Histone-Lysine N-methyltransferase SMYD3 in Complex with S-adenosyl-L-methionine To be Published
|
|
1ETV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1etv by Molmil](/molmil-images/mine/1etv) | |
1ETW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1etw by Molmil](/molmil-images/mine/1etw) | |
6OPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6opi by Molmil](/molmil-images/mine/6opi) | phosphorylated ERK2 with SCH-CPD336 | Descriptor: | (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1 | Authors: | Vigers, G.P, Smith, D. | Deposit date: | 2019-04-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6OPG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6opg by Molmil](/molmil-images/mine/6opg) | phosphorylated ERK2 with AMP-PNP | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Vigers, G.P, Smith, D. | Deposit date: | 2019-04-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6ZH8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zh8 by Molmil](/molmil-images/mine/6zh8) | Cryo-EM structure of DNA-PKcs:DNA | Descriptor: | DNA (5'-D(P*AP*CP*TP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*T)-3'), DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-21 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.14 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
|
|
6R6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r6h by Molmil](/molmil-images/mine/6r6h) | Structural basis of Cullin-2 RING E3 ligase regulation by the COP9 signalosome | Descriptor: | COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... | Authors: | Morris, E.P, Faull, S.V, Lau, A.M.C, Politis, A, Beuron, F, Cronin, N. | Deposit date: | 2019-03-27 | Release date: | 2019-08-28 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | Structural basis of Cullin 2 RING E3 ligase regulation by the COP9 signalosome. Nat Commun, 10, 2019
|
|
8RX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rx0 by Molmil](/molmil-images/mine/8rx0) | (NEDD8)-CRL2VHL-MZ1-Brd4BD2-Ub(G76S, K48C)-UBE2R1(C93K, S138C, C191S, C223S)-Ub | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, Elongin-B, ... | Authors: | Crowe, C, Nakasone, M.A. | Deposit date: | 2024-02-05 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | (NEDD8)-CRL2VHL-MZ1-Brd4BD2-Ub(G76S, K48C)-UBE2R1(C93K, S138C, C191S, C223S)-Ub To Be Published
|
|