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PDB: 1980 results

5C4U
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BU of 5c4u by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
8DK9
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BU of 8dk9 by Molmil
Sliding-clamp-DinX peptide
Descriptor: ACETYL GROUP, AMINO GROUP, Beta sliding clamp, ...
Authors:Kapur, M.K, Gray, O.J, Honzatko, R.H, Nelson, S.N.
Deposit date:2022-07-05
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interaction of sliding clamp with mycobacterial polymerases
To Be Published
8U7U
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BU of 8u7u by Molmil
Proteasome 20S Core Particle from Beta 3 D205 deletion
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J.
Deposit date:2023-09-15
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.16 Å)
Cite:Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024
8U6Y
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BU of 8u6y by Molmil
Preholo-Proteasome from Beta 3 D205 deletion
Descriptor: Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ...
Authors:Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J.
Deposit date:2023-09-14
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024
6B1U
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BU of 6b1u by Molmil
Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S.
Deposit date:2017-09-19
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
5TRU
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BU of 5tru by Molmil
Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4
Descriptor: Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain
Authors:Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C.
Deposit date:2016-10-27
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2W41
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BU of 2w41 by Molmil
Crystal structure of Plasmodium falciparum glycerol kinase with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL KINASE, ...
Authors:Schnick, C, Polley, S.D, Fivelman, Q.L, Ranford-Cartwright, L, Wilkinson, S.R, Brannigan, J.A, Wilkinson, A.J, Baker, D.A.
Deposit date:2008-11-18
Release date:2008-12-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure and Non-Essential Function of Glycerol Kinase in Plasmodium Falciparum Blood Stages.
Mol.Microbiol., 71, 2009
5C4S
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BU of 5c4s by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5XZE
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BU of 5xze by Molmil
Mouse cGAS bound to the inhibitor RU332
Descriptor: (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ...
Authors:Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M.
Deposit date:2017-07-12
Release date:2017-10-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
8T0M
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BU of 8t0m by Molmil
Proteasome 20S core particle from Pre1-1 Pre4-1 Double mutant
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Walsh Jr, R.M, Rawson, S, Schnell, H, Velez, B, Hanna, J.
Deposit date:2023-06-01
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure of the preholoproteasome reveals late steps in proteasome core particle biogenesis.
Nat.Struct.Mol.Biol., 30, 2023
8T08
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BU of 8t08 by Molmil
Preholo-Proteasome from Pre1-1 Pre4-1 Double Mutant
Descriptor: Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ...
Authors:Walsh Jr, R.M, Rawson, S, Schnell, H, Velez, B, Hanna, J.
Deposit date:2023-05-31
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the preholoproteasome reveals late steps in proteasome core particle biogenesis.
Nat.Struct.Mol.Biol., 30, 2023
8QYJ
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BU of 8qyj by Molmil
Human 20S proteasome assembly structure 1
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome assembly chaperone 3, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 31, 2024
4AL4
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BU of 4al4 by Molmil
rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)3-oxo-propyl)carbamoylamino)ethoxy)phenyl)methylpropanedioic acid
Descriptor: 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN
Authors:Tucker, J.A, Brassington, C, Hassall, G, Ward, R, Tart, J, Davies, G, Hohson, M, Pearson, S.
Deposit date:2012-03-01
Release date:2012-03-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
2BPC
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BU of 2bpc by Molmil
CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA: EVIDENCE FOR A COMMON POLYMERASE MECHANISM
Descriptor: DNA POLYMERASE BETA, MANGANESE (II) ION
Authors:Sawaya, M.R, Pelletier, H, Kumar, A, Wilson, S.H, Kraut, J.
Deposit date:1994-07-08
Release date:1994-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of rat DNA polymerase beta: evidence for a common polymerase mechanism.
Science, 264, 1994
3IHS
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BU of 3ihs by Molmil
Crystal Structure of a Phosphocarrier Protein HPr from Bacillus anthracis str. Ames
Descriptor: Phosphocarrier protein HPr
Authors:Brunzelle, J.S, Anderson, S.M, Skarina, T, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-07-30
Release date:2009-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of a Phosphocarrier Protein HPr from Bacillus anthracis str. Ames
To be Published
8QYM
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BU of 8qym by Molmil
Human 20S proteasome assembly intermediate structure 3
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 31, 2024
8QZ9
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BU of 8qz9 by Molmil
Human 20S proteasome assembly intermediate structure 4
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 31, 2024
8QYL
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BU of 8qyl by Molmil
Human 20S proteasome assembly intermediate structure 2
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 31, 2024
8QYN
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BU of 8qyn by Molmil
Human 20S proteasome assembly intermediate structure 5
Descriptor: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ...
Authors:Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
Deposit date:2023-10-26
Release date:2024-02-21
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 31, 2024
5DKP
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BU of 5dkp by Molmil
Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556.
Descriptor: ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ...
Authors:Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A.
Deposit date:2015-09-03
Release date:2016-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity.
J.Med.Chem., 59, 2016
5EN2
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BU of 5en2 by Molmil
Molecular basis for antibody-mediated neutralization of New World hemorrhagic fever mammarenaviruses
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Mahmutovic, S, Clark, L, Levis, S, Briggiler, A, Enria, D, Harrison, S.C, Abraham, J.
Deposit date:2015-11-09
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.821 Å)
Cite:Molecular Basis for Antibody-Mediated Neutralization of New World Hemorrhagic Fever Mammarenaviruses.
Cell Host Microbe, 18, 2015
5EDT
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BU of 5edt by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9
Descriptor: 2-azanyl-5-chloranyl-benzamide, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kavanagh, M.E, Coyne, A.G, McLean, K.J, James, G.G, Levy, C, Marino, L.B, Carvalho, L.P.D, Chan, D.S.H, Hudson, S.A, Surade, S, Munro, A.W, Abell, C.
Deposit date:2015-10-22
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
2PLE
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BU of 2ple by Molmil
NUCLEAR MAGNETIC RESONANCE STRUCTURE OF AN SH2 DOMAIN OF PHOSPHOLIPASE C-GAMMA1 COMPLEXED WITH A HIGH AFFINITY BINDING PEPTIDE
Descriptor: PHOSPHOLIPASE C GAMMA-1, C-TERMINAL SH2 DOMAIN, PHOSPHOPEPTIDE FROM PDGF
Authors:Pascal, S.M, Singer, A.U, Gish, G, Yamazaki, T, Shoelson, S.E, Pawson, T, Kay, L.E, Forman-Kay, J.D.
Deposit date:1994-08-19
Release date:1995-01-26
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance structure of an SH2 domain of phospholipase C-gamma 1 complexed with a high affinity binding peptide.
Cell(Cambridge,Mass.), 77, 1994
2PJH
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BU of 2pjh by Molmil
Strctural Model of the p97 N domain- npl4 UBD complex
Descriptor: Nuclear protein localization protein 4 homolog, Transitional endoplasmic reticulum ATPase
Authors:Isaacson, R, Pye, V.E, Simpson, S, Meyer, H.H, Zhang, X, Freemont, P.
Deposit date:2007-04-16
Release date:2007-05-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Detailed structural insights into the p97-Npl4-Ufd1 interface.
J.Biol.Chem., 282, 2007
3JPP
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BU of 3jpp by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-MonoMethyl Methylene triphosphate
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
Deposit date:2009-09-04
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010

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