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4NNT
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BU of 4nnt by Molmil
Crystal structure of FABP4 in complex with novel inhibitor
Descriptor: 2,4,6-tri(propan-2-yl)benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The complex structure of FABP4 with novel inhibitors
To be Published
8GQ1
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BU of 8gq1 by Molmil
HyHEL10 Fab complexed with hen egg lysozyme carrying arginine cluster in framework region of light chain.
Descriptor: Heavy Chain of HyHel10 Antibody Fragment (Fab), Light Chain of HyHel10 Antibody Fragment (Fab), Lysozyme C, ...
Authors:Matsuura, H, Hirata, K, Sakai, N, Nakakido, M, Tsumoto, K.
Deposit date:2022-08-28
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Arginine cluster introduction on framework region in anti-lysozyme antibody improved association rate constant by changing conformational diversity of CDR loops.
Protein Sci., 32, 2023
5WDQ
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BU of 5wdq by Molmil
H-Ras mutant L120A bound to GMP-PNP at 100K
Descriptor: ACETATE ION, CALCIUM ION, GTPase HRas, ...
Authors:Bandaru, P, Gee, C.L, Kuriyan, J.
Deposit date:2017-07-05
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
8GH6
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BU of 8gh6 by Molmil
Bombyx mori R2 retrotransposon initiating target-primed reverse transcription
Descriptor: 28S DNA bottom strand, 3' side, 5' side (priming strand), ...
Authors:Wilkinson, M.E, Zhang, F.
Deposit date:2023-03-09
Release date:2023-04-05
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structure of the R2 non-LTR retrotransposon initiating target-primed reverse transcription.
Science, 380, 2023
8GN7
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BU of 8gn7 by Molmil
structure of human connexin 40.1 intercellular gap junction channel by cryoEM
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, Gap junction delta-4 protein, ...
Authors:Zhang, H, Wang, D.P.
Deposit date:2022-08-23
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:structure of human connexin 40.1 intercellular gap junction channel by cryoEM
To Be Published
4NSH
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BU of 4nsh by Molmil
Carboplatin binding to HEWL in 0.2M NH4SO4, 0.1M NaAc in 25% PEG 4000 at pH 4.6
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R.
Deposit date:2013-11-28
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
8GNB
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BU of 8gnb by Molmil
structure of human connexin 40.1 side-by-side decamer channel by cryoEM
Descriptor: Gap junction delta-4 protein
Authors:Zhang, H, Wang, D.P.
Deposit date:2022-08-23
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:structure of human connexin 40.1 side-by-side decamer channel by cryoEM
To Be Published
5WHD
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BU of 5whd by Molmil
Crystal structure of KRas G12V/D38P, bound to GDP
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
Authors:Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L.
Deposit date:2017-07-16
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
6BXU
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BU of 6bxu by Molmil
Crystal Structure of Mouse Protocadherin-15 EC5-7 I582T
Descriptor: CALCIUM ION, Protocadherin-15
Authors:Neel, B.L, Sotomayor, M.
Deposit date:2017-12-19
Release date:2018-12-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception.
Proc.Natl.Acad.Sci.USA, 2020
4NKY
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BU of 4nky by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxyprogesterone
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NCT
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BU of 4nct by Molmil
Human DYRK1A in complex with PKC412
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PKC412
Authors:Alexeeva, M.O, Rothweiler, U.
Deposit date:2013-10-25
Release date:2015-04-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals disulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine.
Acta Crystallogr.,Sect.D, 71, 2015
6C4S
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BU of 6c4s by Molmil
Human cSrc SH3 Domain in complex with Choline Kinase fragment 60-69
Descriptor: Proto-oncogene tyrosine-protein kinase Src,cSrc SH3 Domain, ZINC ION
Authors:Kall, S.L, Lavie, A.
Deposit date:2018-01-12
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for the interaction between human choline kinase alpha and the SH3 domain of the c-Src tyrosine kinase.
Sci Rep, 9, 2019
6C4W
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BU of 6c4w by Molmil
Structure of the yeast Pichia membranifaciens cytochrome c
Descriptor: HEME C, cytochrome c
Authors:McPherson, A.
Deposit date:2018-01-13
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterization of two crystal forms of cytochrome c from Valida membranifaciens
to be published
5WJQ
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BU of 5wjq by Molmil
mouseZFP568-ZnF2-11 in complex with DNA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (28-MER), ZINC ION, ...
Authors:Patel, A, Cheng, X.
Deposit date:2017-07-24
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins.
Cell, 173, 2018
4NNS
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BU of 4nns by Molmil
Crystal structure of FABP4 in complex with novel inhibitor
Descriptor: 2,4,6-tri(propan-2-yl)benzenesulfonic acid, Fatty acid-binding protein, adipocyte
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The complex structure of FABP4 with novel inhibitors
To be Published
5YVA
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BU of 5yva by Molmil
Structure of CaMKK2 in complex with CKI-010
Descriptor: 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
8GQQ
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BU of 8gqq by Molmil
The three-dimensional structure of Cystatin A2, a cysteine protease inhibitor from Dictyostelium discoideum
Descriptor: Cystatin-A2
Authors:Dinh, T.T, Dao, O, Lee, K.H.
Deposit date:2022-08-30
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:The three-dimensional structure of Cystatin A2, a cysteine protease inhibitor from Dictyostelium discoideum
To Be Published
6CL9
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BU of 6cl9 by Molmil
2.20 A MicroED structure of proteinase K at 4.3 e- / A^2
Descriptor: Proteinase K
Authors:Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
Deposit date:2018-03-02
Release date:2018-05-16
Last modified:2023-10-04
Method:ELECTRON CRYSTALLOGRAPHY (2.2 Å)
Cite:Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6LAP
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BU of 6lap by Molmil
Cryo-EM structure of echovirus 11 A-particle at pH 7.4
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Liu, S, Gao, F.G.
Deposit date:2019-11-13
Release date:2020-10-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
7NET
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BU of 7net by Molmil
Crystal structure of the v-Src SH3 domain W95R-I96T mutant
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Camara-Artigas, A, Salinas-Garcia, M.C.
Deposit date:2021-02-04
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The impact of oncogenic mutations of the viral Src kinase on the structure and stability of the SH3 domain.
Acta Crystallogr D Struct Biol, 77, 2021
8GRZ
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BU of 8grz by Molmil
X-ray crystal structure of V71C human neuroglobin mutant
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W.
Deposit date:2022-09-03
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystal structure of V71C human neuroglobin mutant
To Be Published
4NGK
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BU of 4ngk by Molmil
Previously de-ionized HEW lysozyme batch crystallized in 0.2 M CoCl2
Descriptor: CHLORIDE ION, COBALT (II) ION, Lysozyme C
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-02
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
7UGB
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BU of 7ugb by Molmil
Crystal structure of rat ERK2 complexed with docking peptide from ISG20
Descriptor: Interferon-stimulated gene 20 kDa protein, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Torres Robles, J, Stiegler, A.L, Boggon, T.J, Turk, B.E.
Deposit date:2022-03-24
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:To be determined
To Be Published
7NER
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BU of 7ner by Molmil
Crystal structure of the v-Src SH3 domain Q128R mutant
Descriptor: SULFATE ION, TETRAETHYLENE GLYCOL, v-Src SH3 domain
Authors:Camara-Artigas, A, Salinas-Garcia, M.C.
Deposit date:2021-02-04
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The impact of oncogenic mutations of the viral Src kinase on the structure and stability of the SH3 domain.
Acta Crystallogr D Struct Biol, 77, 2021
5WNH
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BU of 5wnh by Molmil
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Descriptor: (2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide, Rho-associated protein kinase 1
Authors:Li, X.
Deposit date:2017-07-31
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published

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PDB entries from 2024-08-07

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