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1YV5
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BU of 1yv5 by Molmil
Human farnesyl diphosphate synthase complexed with Mg and risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION, ...
Authors:Kavanagh, K.L, Guo, K, Von Delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2005-02-15
Release date:2005-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs.
Proc.Natl.Acad.Sci.USA, 103, 2006
6LDZ
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BU of 6ldz by Molmil
Crystal structure of Rv0222 from Mycobacterium tuberculosis
Descriptor: Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase)
Authors:Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H.
Deposit date:2019-11-23
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Host-mediated ubiquitination of a mycobacterial protein suppresses immunity.
Nature, 577, 2020
3TGR
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BU of 3tgr by Molmil
Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TIH
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BU of 3tih by Molmil
Crystal structure of unliganded HIV-1 clade C strain ZM109F.PB4 gp120 core
Descriptor: HIV-1 clade C ZM109F.PB4 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-20
Release date:2012-04-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (4 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
7T62
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BU of 7t62 by Molmil
GPC2 HEP CT3 complex
Descriptor: CT3, Glypican-2
Authors:Zhu, J, Cachau, R, De Val Alda, N, Li, N, Ho, M.
Deposit date:2021-12-13
Release date:2021-12-22
Method:ELECTRON MICROSCOPY (21 Å)
Cite:CAR T cells targeting tumor-associated exons of glypican 2 regress neuroblastoma in mice.
Cell Rep Med, 2, 2021
7T9X
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BU of 7t9x by Molmil
Saccharomyces cerevisiae Pex12 RING domain
Descriptor: Peroxisome assembly protein 12, ZINC ION
Authors:Feng, P, Rapoport, T.
Deposit date:2021-12-20
Release date:2022-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A peroxisomal ubiquitin ligase complex forms a retrotranslocation channel.
Nature, 607, 2022
7T92
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BU of 7t92 by Molmil
Structure of the peroxisomal retro-translocon formed by a heterotrimeric ubiquitin ligase complex
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, Fab heavy chain, ...
Authors:Peiqiang, F, Tom, R.
Deposit date:2021-12-17
Release date:2022-07-06
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A peroxisomal ubiquitin ligase complex forms a retrotranslocation channel.
Nature, 607, 2022
7T1E
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BU of 7t1e by Molmil
Structure of monomeric and dimeric human CCL20
Descriptor: C-C motif chemokine 20, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Peterson, F.C, Riutta, S.J, Volkman, B.F.
Deposit date:2021-12-01
Release date:2022-12-14
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.459 Å)
Cite:The Chemokine, CCL20, and Its Receptor, CCR6, in the Pathogenesis and Treatment of Psoriasis and Psoriatic Arthritis
J Psoriasis Psoriatic Arthritis, 8, 2023
4OA7
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BU of 4oa7 by Molmil
Crystal structure of Tankyrase1 in complex with IWR1
Descriptor: 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
Authors:Zhang, X, He, H.
Deposit date:2014-01-03
Release date:2015-01-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
3TGT
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BU of 3tgt by Molmil
Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TGS
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BU of 3tgs by Molmil
Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 core, N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TGQ
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BU of 3tgq by Molmil
Crystal structure of unliganded HIV-1 clade B strain YU2 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
7MBK
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BU of 7mbk by Molmil
N-terminal domain of mouse surfactant protein B, 6W mutant
Descriptor: Pulmonary surfactant-associated protein B
Authors:Milicic, G, Rapoport, T.A.
Deposit date:2021-03-31
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Mechanism of Lamellar Body Formation by Lung Surfactant Protein B.
Mol.Cell, 81, 2021
7LIN
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BU of 7lin by Molmil
X-ray structure of SPOP MATH domain (D140G) in complex with a 53BP1 peptide
Descriptor: SULFATE ION, Speckle-type POZ protein, TP53-binding protein 1 peptide
Authors:Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2021-01-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication.
Sci Adv, 7, 2021
7LIO
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BU of 7lio by Molmil
X-ray structure of SPOP MATH domain (S119D) in complex with a 53BP1 peptide
Descriptor: Speckle-type POZ protein, TP53-binding protein 1 peptide
Authors:Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2021-01-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication.
Sci Adv, 7, 2021
7LIQ
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BU of 7liq by Molmil
X-ray structure of SPOP MATH domain (S119A)
Descriptor: Speckle-type POZ protein
Authors:Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2021-01-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication.
Sci Adv, 7, 2021
7LIP
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BU of 7lip by Molmil
X-ray structure of SPOP MATH domain (D140G)
Descriptor: SULFATE ION, Speckle-type POZ protein
Authors:Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2021-01-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication.
Sci Adv, 7, 2021
3SOM
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BU of 3som by Molmil
crystal structure of human MMACHC
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, 5'-DEOXYADENOSINE, ...
Authors:Krojer, T, Froese, D.S, von Delft, F, Muniz, J.R, Gileadi, C, Vollmar, M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gravel, R.A, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-07-27
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of MMACHC reveals an arginine-rich pocket and a domain-swapped dimer for its B12 processing function.
Biochemistry, 51, 2012
3HC4
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BU of 3hc4 by Molmil
BHA10 IgG1 Fab quadruple mutant variant - antibody directed at human LTBR
Descriptor: ACETATE ION, IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, ...
Authors:Arndt, J.W, Jordan, J.L, Lugovskoy, A, Wang, D.
Deposit date:2009-05-05
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules
Proteins, 77, 2009
3HC0
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BU of 3hc0 by Molmil
BHA10 IgG1 wild-type Fab - antibody directed at human LTBR
Descriptor: ACETATE ION, IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, ...
Authors:Arndt, J.W, Jordan, J.L, Lugovskoy, A, Wang, D.
Deposit date:2009-05-05
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules
Proteins, 77, 2009
8XGB
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BU of 8xgb by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (S)-1-(1H-benzo[d]imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
Descriptor: (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGT
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BU of 8xgt by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGY
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BU of 8xgy by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-16
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XFV
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BU of 8xfv by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
Descriptor: 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-14
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGA
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BU of 8xga by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.537 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024

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