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6WTP
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BU of 6wtp by Molmil
Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3
Descriptor: GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
6WTO
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BU of 6wto by Molmil
Human JAK2 JH1 domain in complex with Baricitinib
Descriptor: 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
4ZN2
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BU of 4zn2 by Molmil
Glycosyl hydrolase from Pseudomonas aeruginosa
Descriptor: PslG
Authors:Su, T, Liu, S, Gu, L.
Deposit date:2015-05-04
Release date:2016-01-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:PslG, a self-produced glycosyl hydrolase, triggers biofilm disassembly by disrupting exopolysaccharide matrix
Cell Res., 25, 2015
7V63
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BU of 7v63 by Molmil
Structure of dimeric uPAR at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
Authors:Yuan, C, Huang, M.
Deposit date:2021-08-19
Release date:2021-12-22
Last modified:2022-04-06
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
7E17
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BU of 7e17 by Molmil
Structure of dimeric uPAR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
Authors:Cai, Y, Huang, M.
Deposit date:2021-02-01
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
1H4A
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BU of 1h4a by Molmil
Human GammaD Crystallin R58H mutant structure AT 1.15 A resolution
Descriptor: Gamma-crystallin D
Authors:Basak, A.K, Slingsby, C.
Deposit date:2003-02-25
Release date:2003-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:High-Resolution X-Ray Crystal Structures of Human GammaD Crystallin (1.25A) and the R58H Mutant (1.15A) Associated with Aculeiform Cataract
J.Mol.Biol., 328, 2003
6UEL
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BU of 6uel by Molmil
CPS1 bound to allosteric inhibitor H3B-193
Descriptor: Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ...
Authors:Larsen, N.A, Nguyen, T.V.
Deposit date:2019-09-21
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Cell Chem Biol, 27, 2020
6W2J
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BU of 6w2j by Molmil
CPS1 bound to allosteric inhibitor H3B-374
Descriptor: (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], ...
Authors:Larsen, N.A, Nguyen, T.V.
Deposit date:2020-03-05
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.
Acs Med.Chem.Lett., 11, 2020
8JE1
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BU of 8je1 by Molmil
An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
Authors:Dai, Z, Liang, L, Yin, Y.X.
Deposit date:2023-05-15
Release date:2024-02-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
8JE2
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BU of 8je2 by Molmil
Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN
Descriptor: Cullin-2, Elongin-B, Elongin-C, ...
Authors:Dai, Z, Liang, L, Yin, Y.X.
Deposit date:2023-05-15
Release date:2024-02-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
7P6S
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BU of 7p6s by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol
Authors:Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
Deposit date:2021-07-17
Release date:2022-03-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6R
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BU of 7p6r by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
Authors:Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
Deposit date:2021-07-17
Release date:2022-03-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6T
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BU of 7p6t by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
Authors:Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
Deposit date:2021-07-17
Release date:2022-03-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
8CA0
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BU of 8ca0 by Molmil
Macrophage inhibitory factor (MIF) in complex with small molecule PAV174
Descriptor: 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine, Macrophage migration inhibitory factor
Authors:Mueller, A, Torres, F, Roland, R, Korth, C.
Deposit date:2023-01-24
Release date:2024-02-07
Method:SOLUTION NMR
Cite:Oxidized MIF is a drug target at the molecular intersection between immune activation and tau cellular pathology
To Be Published
2CCD
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BU of 2ccd by Molmil
Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis
Descriptor: PEROXIDASE/CATALASE T, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yu, H, Sacchettini, J.C.
Deposit date:2006-01-16
Release date:2006-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed by Mycobacterium Tuberculosis Catalase- Peroxidase (Katg) and its S315T Mutant.
Biochemistry, 45, 2006
2CCA
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BU of 2cca by Molmil
Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis
Descriptor: PEROXIDASE/CATALASE T, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yu, H, Sacchettini, J.C.
Deposit date:2006-01-16
Release date:2006-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed by Mycobacterium Tuberculosis Catalase-Peroxidase (Katg) and its S315T Mutant.
Biochemistry, 45, 2006
1HK0
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BU of 1hk0 by Molmil
Human GammaD Crystallin Structure at 1.25 A Resolution
Descriptor: Gamma-crystallin D
Authors:Basak, A.K, Slingsby, C.
Deposit date:2003-03-05
Release date:2003-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:High-Resolution X-Ray Crystal Structures of Human Gammad Crystallin (1.25A) and the R58H Mutant (1.15A) Associated with Aculeiform Cataract
J.Mol.Biol., 328, 2003
5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
Descriptor: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2016-10-26
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
5IEI
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BU of 5iei by Molmil
X-ray crystallographic structure of a high affinity IGF2 antagonist (Domain11 AB5 RHH) based on human IGF2R domain 11
Descriptor: 1,2-ETHANEDIOL, Cation-independent mannose-6-phosphate receptor, GLYCEROL, ...
Authors:Nicholls, R.D, Williams, C, Strickland, M, Frago, S, Hassan, A.B, Crump, M.P.
Deposit date:2016-02-25
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
8CZH
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BU of 8czh by Molmil
Human BAK in complex with the dM2 peptide
Descriptor: Bcl-2 homologous antagonist/killer, DM2 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8CZF
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BU of 8czf by Molmil
Human BAK in complex with the dF2 peptide
Descriptor: Bcl-2 homologous antagonist/killer, DF2 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8CZG
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BU of 8czg by Molmil
Human BAK in complex with the dF3 peptide
Descriptor: Bcl-2 homologous antagonist/killer, dF3 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8EQ6
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BU of 8eq6 by Molmil
PD1 signaling receptor bound to FAB Complex
Descriptor: Antibody FAB heavy chain, Antibody FAB light chain, Programmed cell death protein 1
Authors:Bjorkelid, C, Paluch, C, Robertson, N.J.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Antibody agonists trigger immune receptor signaling through local exclusion of receptor-type protein tyrosine phosphatases.
Immunity, 57, 2024
5L9U
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BU of 5l9u by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with a cross linked Ubiquitin variant-substrate-UBE2C (UBCH10) complex representing key features of multiubiquitination
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2016-06-11
Release date:2016-09-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
5L9T
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BU of 5l9t by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with E2 UBE2S poised for polyubiquitination where UBE2S, APC2, and APC11 are modeled into low resolution density
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2016-06-11
Release date:2016-10-26
Last modified:2016-11-02
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016

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