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8J3V
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BU of 8j3v by Molmil
Structure of the transmembrane domain of human PD-L2
Descriptor: Programmed cell death 1 ligand 2
Authors:OuYang, B, Zhang, Y.
Deposit date:2023-04-18
Release date:2024-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Deciphering Cholesterol's Role in PD-L2 Stability: A Distinct Regulatory Mechanism From PD-L1.
J.Mol.Biol., 436, 2024
7KHK
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BU of 7khk by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX9486 (bezuclastinib) in the DFG-in state
Descriptor: 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
7KHJ
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BU of 7khj by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX8512 in the DFG-in state
Descriptor: 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
7KHG
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BU of 7khg by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397
Descriptor: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
8H7G
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BU of 8h7g by Molmil
Cryo-EM structure of the human SAGA complex
Descriptor: Ataxin-7, STAGA complex 65 subunit gamma, Splicing factor 3B subunit 3, ...
Authors:Huang, J, Zhang, Y.
Deposit date:2022-10-20
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of human SAGA transcriptional coactivator complex.
Cell Discov, 8, 2022
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
Descriptor: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
Authors:Zhang, Y, Colonna, C, Michot, N.
Deposit date:2011-12-22
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
7XED
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BU of 7xed by Molmil
Crystal Structure of OsCIE1-Ubox and OsUBC8 complex
Descriptor: U-box domain-containing protein 12, UBC core domain-containing protein
Authors:Zhang, Y, Yu, C.Z.
Deposit date:2022-03-30
Release date:2023-10-04
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
7DTK
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BU of 7dtk by Molmil
Crystal structure of the RecA1 domain of RNA helicase CGH-1 in C. elegans
Descriptor: ATP-dependent RNA helicase cgh-1, GLYCEROL
Authors:Hong, J.J, Lv, M.Q, Zhang, Y.
Deposit date:2021-01-05
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Structural and biochemical insights into the recognition of RNA helicase CGH-1 by CAR-1 in C. elegans.
Biochem.Biophys.Res.Commun., 549, 2021
7EU8
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BU of 7eu8 by Molmil
Structure of the human GluN1-GluN2B NMDA receptor in complex with S-ketamine,glycine and glutamate
Descriptor: (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Zhang, T, Zhang, Y, Zhu, S.
Deposit date:2021-05-16
Release date:2021-07-28
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis of ketamine action on human NMDA receptors.
Nature, 596, 2021
7D6F
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BU of 7d6f by Molmil
The crystal structure of ARMS-PBM/MAGI2-PDZ4
Descriptor: GLYCEROL, Kinase D-interacting substrate of 220 kDa, Membrane-associated guanylate kinase, ...
Authors:Ye, J, Zhang, Y, Zhong, Z, Wang, C.
Deposit date:2020-09-30
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Crystal structure of the PDZ4 domain of MAGI2 in complex with PBM of ARMS reveals a canonical PDZ recognition mode.
Neurochem.Int., 149, 2021
4URT
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BU of 4urt by Molmil
The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R.
Deposit date:2014-07-02
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue
Neuron, 83, 2014
6PWW
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BU of 6pww by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
4R5Y
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BU of 4r5y by Molmil
The complex structure of Braf V600E kinase domain with a novel Braf inhibitor
Descriptor: 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf
Authors:Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M.
Deposit date:2014-08-22
Release date:2016-02-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
7C1L
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BU of 7c1l by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1U
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BU of 7c1u by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
4I48
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BU of 4i48 by Molmil
Structure of HLA-A68 complexed with an HIV Env derived peptide
Descriptor: 9-mer peptide from Envelope glycoprotein gp160, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Niu, L, Cheng, H, Zhang, S, Tan, S, Zhang, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2012-11-27
Release date:2013-10-02
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes
Mol.Immunol., 55, 2013
6PB1
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BU of 6pb1 by Molmil
Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in complex with Gs protein and Nb35
Descriptor: CHOLESTEROL, Corticotropin-releasing factor receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E.
Deposit date:2019-06-12
Release date:2020-02-12
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors.
Mol.Cell, 77, 2020
6VUA
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BU of 6vua by Molmil
X-ray structure of human CD38 catalytic domain with 2'-Cl-araNAD+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Dai, Z, Zhang, X.N, Nasertorabi, F, Han, G.W, Stevens, R.C, Zhang, Y.
Deposit date:2020-02-14
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis of site-specific antibody-drug conjugates by ADP-ribosyl cyclases.
Sci Adv, 6, 2020
4IMI
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BU of 4imi by Molmil
Novel Modifications on C-terminal Domain of RNA Polymerase II can Fine- tune the Phosphatase Activity of Ssu72.
Descriptor: CG14216, CTD, PHOSPHATE ION, ...
Authors:Luo, Y, Yogesha, S.D, Zhang, Y.
Deposit date:2013-01-03
Release date:2013-08-07
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Novel Modifications on C-terminal Domain of RNA Polymerase II Can Fine-tune the Phosphatase Activity of Ssu72.
Acs Chem.Biol., 8, 2013
3EPO
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BU of 3epo by Molmil
Crystal structure of Caulobacter crescentus ThiC complexed with HMP-P
Descriptor: (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, Thiamine biosynthesis protein thiC
Authors:Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E.
Deposit date:2008-09-29
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily
Nat.Chem.Biol., 4, 2008
4IMJ
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BU of 4imj by Molmil
Novel Modifications on C-terminal Domain of RNA Polymerase II can Fine-tune the Phosphatase Activity of Ssu72
Descriptor: CG14216, CTD, PHOSPHATE ION, ...
Authors:Luo, Y, Yogesha, S.D, Zhang, Y.
Deposit date:2013-01-03
Release date:2013-08-07
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Novel Modifications on C-terminal Domain of RNA Polymerase II Can Fine-tune the Phosphatase Activity of Ssu72.
Acs Chem.Biol., 8, 2013
1T7B
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BU of 1t7b by Molmil
Crystal structure of mutant Lys8Gln of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-09
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
1T7A
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BU of 1t7a by Molmil
Crystal structure of mutant Lys8Asp of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-08
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
1T7E
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BU of 1t7e by Molmil
Crystal structure of mutant Pro9Ser of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I, PHOSPHATE ION
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-09
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
1T0Z
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BU of 1t0z by Molmil
Structure of an Excitatory Insect-specific Toxin with an Analgesic Effect on Mammalian from Scorpion Buthus martensii Karsch
Descriptor: SULFATE ION, insect neurotoxin
Authors:Li, C, Guan, R.-J, Xiang, Y, Zhang, Y, Wang, D.-C.
Deposit date:2004-04-14
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of an excitatory insect-specific toxin with an analgesic effect on mammals from the scorpion Buthus martensii Karsch.
Acta Crystallogr.,Sect.D, 61, 2005

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