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PDB: 407 results

5EGM
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BU of 5egm by Molmil
Development of a novel tricyclic class of potent and selective FIXa inhibitors
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ...
Authors:Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B.
Deposit date:2015-10-27
Release date:2015-11-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7F17
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BU of 7f17 by Molmil
Crystal Structure of acid phosphatase
Descriptor: Acid phosphatase
Authors:Xu, X, Hou, X.D, Song, W, Rao, Y.J, Liu, L.M, Wu, J.
Deposit date:2021-06-08
Release date:2021-10-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
1YC0
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BU of 1yc0 by Molmil
short form HGFA with first Kunitz domain from HAI-1
Descriptor: Hepatocyte growth factor activator, Kunitz-type protease inhibitor 1, PHOSPHATE ION
Authors:Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C.
Deposit date:2004-12-21
Release date:2005-02-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B.
J.Mol.Biol., 346, 2005
6LBS
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BU of 6lbs by Molmil
Crystal structure of yeast Stn1
Descriptor: KLLA0C11825p
Authors:Ge, Y, Wu, Z, Wu, J, Lei, M.
Deposit date:2019-11-14
Release date:2020-07-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into telomere protection and homeostasis regulation by yeast CST complex.
Nat.Struct.Mol.Biol., 27, 2020
6LBR
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BU of 6lbr by Molmil
Crystal structure of yeast Cdc13 and ssDNA
Descriptor: KLLA0F20922p, Telomere single-strand DNA
Authors:Ge, Y, Wu, Z, Wu, J, Lei, M.
Deposit date:2019-11-14
Release date:2020-07-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into telomere protection and homeostasis regulation by yeast CST complex.
Nat.Struct.Mol.Biol., 27, 2020
6LCV
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BU of 6lcv by Molmil
structure of Mutant S44P of maltooligosyltrehalose synthase from Arthrobacter ramosus
Descriptor: MTSase
Authors:Chen, C, Su, L, Wu, L, Zhou, J, Wu, J.
Deposit date:2019-11-20
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:structure of Mutant S44P of maltooligosyltrehalose synthase from Arthrobacter ramosus
To Be Published
5XUP
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BU of 5xup by Molmil
Crystal structure of TRF1 and TERB1
Descriptor: Telomere repeats-binding bouquet formation protein 1, Telomeric repeat-binding factor 1
Authors:Long, J, Huang, C, Wu, J, Lei, M.
Deposit date:2017-06-24
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Telomeric TERB1-TRF1 interaction is crucial for male meiosis.
Nat. Struct. Mol. Biol., 24, 2017
6LBT
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BU of 6lbt by Molmil
Crystal structure of yeast Cdc13 and Stn1
Descriptor: GLYCEROL, KLLA0C11825p, KLLA0F20922p,KLLA0F20922p
Authors:Ge, Y, Wu, Z, Wu, J, Lei, M.
Deposit date:2019-11-14
Release date:2020-07-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into telomere protection and homeostasis regulation by yeast CST complex.
Nat.Struct.Mol.Biol., 27, 2020
6LBU
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BU of 6lbu by Molmil
Crystal structure of yeast Stn1 and Ten1
Descriptor: KLLA0C11825p, KLLA0E09417p
Authors:Ge, Y, Wu, Z, Wu, J, Lei, M.
Deposit date:2019-11-14
Release date:2020-07-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into telomere protection and homeostasis regulation by yeast CST complex.
Nat.Struct.Mol.Biol., 27, 2020
6LCU
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BU of 6lcu by Molmil
structure of maltooligosyltrehalose synthase from Arthrobacter ramosus
Descriptor: MTSase
Authors:Chen, C, Su, L, Wu, L, Zhou, J, Wu, J.
Deposit date:2019-11-20
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:structure of maltooligosyltrehalose synthase from Arthrobacter ramosus
To Be Published
3OXL
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BU of 3oxl by Molmil
Human lysine methyltransferase Smyd3 in complex with AdoHcy (Form II)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding
Nucleic Acids Res., 39, 2011
3OXI
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BU of 3oxi by Molmil
Design and Synthesis of Disubstituted Thiophene and Thiazole Based Inhibitors of JNK for the Treatment of Neurodegenerative Diseases
Descriptor: Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8 interacting protein 1, methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
Authors:Hom, R.K, Bowers, S, Sealy, J, Truong, A, Probst, G.D, Neitzel, M, Neitz, J, Fang, L, Brogley, L, Wu, J, Konradi, A.W, Sham, H, Toth, G, Pan, H, Yao, N, Artis, D.R.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK.
Bioorg.Med.Chem.Lett., 20, 2010
3OXG
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BU of 3oxg by Molmil
human lysine methyltransferase Smyd3 in complex with AdoHcy (Form III)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding.
Nucleic Acids Res., 39, 2011
1YBW
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BU of 1ybw by Molmil
Protease domain of HGFA with no inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor activator precursor
Authors:Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C.
Deposit date:2004-12-21
Release date:2005-02-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B.
J.Mol.Biol., 346, 2005
3OXF
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BU of 3oxf by Molmil
Human lysine methyltransferase Smyd3 in complex with AdoHcy (Form I)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
Deposit date:2010-09-21
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding.
Nucleic Acids Res., 39, 2011
6MO1
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BU of 6mo1 by Molmil
Structure of dengue virus protease with an allosteric Inhibitor that blocks replication
Descriptor: 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine, FLAVIVIRUS_NS2B/Peptidase S7
Authors:Lin, Y.-L, Hua, Y, Nie, S, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y.
Deposit date:2018-10-03
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J.Am.Chem.Soc., 141, 2019
6MO2
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BU of 6mo2 by Molmil
Structure of dengue virus protease with an allosteric Inhibitor that blocks replication
Descriptor: 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7
Authors:Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y.
Deposit date:2018-10-03
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J.Am.Chem.Soc., 141, 2019
6VGU
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BU of 6vgu by Molmil
Crystal structure of FERM-folded talin head domain bound to the NPLY motif of beta3-integrin
Descriptor: Integrin beta-3,Talin-1
Authors:Zhang, P, Sun, Y, Wu, J.
Deposit date:2020-01-09
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structure of the FERM-folded talin head reveals the determinants for integrin binding.
Proc.Natl.Acad.Sci.USA, 117, 2020
5DOI
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BU of 5doi by Molmil
Crystal structure of Tetrahymena p45N and p19
Descriptor: Telomerase associated protein p45, Telomerase-associated protein 19
Authors:Wan, B, Tang, T, Wu, J, Lei, M.
Deposit date:2015-09-11
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex
Nat.Struct.Mol.Biol., 22, 2015
8J0N
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BU of 8j0n by Molmil
cryo-EM structure of human EMC
Descriptor: ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ER membrane protein complex subunit 2, ...
Authors:Li, M, Zhang, C, Wu, J, Lei, M.
Deposit date:2023-04-11
Release date:2024-04-03
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural insights into human EMC and its interaction with VDAC.
Aging (Albany NY), 16, 2024
8J0O
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BU of 8j0o by Molmil
cryo-EM structure of human EMC and VDAC
Descriptor: ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ER membrane protein complex subunit 2, ...
Authors:Li, M, Zhang, C, Wu, J, Lei, M.
Deposit date:2023-04-11
Release date:2024-04-03
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structural insights into human EMC and its interaction with VDAC.
Aging (Albany NY), 16, 2024
5DOF
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BU of 5dof by Molmil
Crystal structure of Tetrahymena p19
Descriptor: Telomerase-associated protein 19
Authors:Wan, B, Tang, T, Wu, J, Lei, M.
Deposit date:2015-09-11
Release date:2015-11-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Tetrahymena telomerase p75-p45-p19 subcomplex is a unique CST complex.
Nat.Struct.Mol.Biol., 22, 2015
6NO7
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BU of 6no7 by Molmil
Crystal Structure of the full-length wild-type PKA RIa Holoenzyme
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Lu, T, Wu, J, Taylor, S.S.
Deposit date:2019-01-15
Release date:2019-07-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Two PKA RI alpha holoenzyme states define ATP as an isoform-specific orthosteric inhibitor that competes with the allosteric activator, cAMP.
Proc.Natl.Acad.Sci.USA, 116, 2019
4DSO
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BU of 4dso by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ...
Authors:Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
Deposit date:2012-02-19
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DSU
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BU of 4dsu by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Descriptor: BENZIMIDAZOLE, GTPase KRas, isoform 2B, ...
Authors:Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
Deposit date:2012-02-19
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012

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