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1DXP
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BU of 1dxp by Molmil
Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (apo structure)
Descriptor: GLYCEROL, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ...
Authors:Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M.
Deposit date:2000-01-13
Release date:2001-01-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
1DIT
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BU of 1dit by Molmil
COMPLEX OF A DIVALENT INHIBITOR WITH THROMBIN
Descriptor: ALPHA-THROMBIN, PEPTIDE INHIBITOR CVS995
Authors:Tulinsky, A, Krishnan, R.
Deposit date:1995-07-20
Release date:1996-06-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis, structure, and structure-activity relationships of divalent thrombin inhibitors containing an alpha-keto-amide transition-state mimetic.
Protein Sci., 5, 1996
6Y94
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BU of 6y94 by Molmil
Ca2+-bound Calmodulin mutant N53I
Descriptor: CALCIUM ION, Calmodulin
Authors:Holt, C, Nielsen, L.H, Lau, K, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Petegem, F.V, Overgaard, M.T, Wimmer, R.
Deposit date:2020-03-06
Release date:2020-04-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
6FP9
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BU of 6fp9 by Molmil
Crystal structure of anti-mTFP1 DARPin 1238_E11
Descriptor: 1,2-ETHANEDIOL, DARPin 1238_E11, SULFATE ION
Authors:Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T.
Deposit date:2018-02-09
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
6DWU
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BU of 6dwu by Molmil
Crystal structure of complex of BBKI and Bovine Trypsin
Descriptor: Cationic trypsin, Kunitz-type inihibitor
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2018-06-28
Release date:2019-01-30
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Acta Crystallogr D Struct Biol, 75, 2019
7N0H
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BU of 7n0h by Molmil
CryoEM structure of SARS-CoV-2 spike protein (S-6P, 2-up) in complex with sybodies (Sb45)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Jiang, J, Huang, R, Margulies, D.
Deposit date:2021-05-25
Release date:2021-06-02
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
7N0G
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BU of 7n0g by Molmil
CryoEm structure of SARS-CoV-2 spike protein (S-6P, 1-up) in complex with sybodies (Sb45)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Jiang, J, Huang, R, Margulies, D.
Deposit date:2021-05-25
Release date:2021-06-02
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
6Y4O
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BU of 6y4o by Molmil
Calmodulin bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain
Descriptor: CALCIUM ION, Calmodulin-2, Ryanodine receptor 2
Authors:Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R.
Deposit date:2020-02-21
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83549082 Å)
Cite:The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
6DWH
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BU of 6dwh by Molmil
Crystal structure of complex of BBKI and Bovine Trypsin
Descriptor: CHLORIDE ION, Cationic trypsin, Kunitz-type inihibitor, ...
Authors:Li, M, Wlodawer, A.
Deposit date:2018-06-26
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Acta Crystallogr D Struct Biol, 75, 2019
6YSG
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BU of 6ysg by Molmil
Magnesium chelatase H subunit (ChlH) from Synechocystis sp.PCC6803 to 2.54 A resolution
Descriptor: CITRIC ACID, Mg-chelatase subunit ChlH
Authors:Bisson, C, Hunter, C.N.
Deposit date:2020-04-22
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:The active site of magnesium chelatase.
Nat.Plants, 6, 2020
7N7I
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BU of 7n7i by Molmil
X-ray crystal structure of Viperin-like enzyme from Trichoderma virens
Descriptor: IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, URIDINE 5'-TRIPHOSPHATE, ...
Authors:Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G.
Deposit date:2021-06-10
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life.
Biochemistry, 60, 2021
7N7H
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BU of 7n7h by Molmil
X-ray crystal structure of Viperin-like enzyme from Nematostella vectensis
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, ...
Authors:Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G.
Deposit date:2021-06-10
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life.
Biochemistry, 60, 2021
6YS9
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BU of 6ys9 by Molmil
T_926 truncate of ChlH from Thermosynechococcus elongatus at 1.64 A resolution
Descriptor: Magnesium-protoporphyrin methyltransferase, POTASSIUM ION
Authors:Bisson, C, Hunter, C.N.
Deposit date:2020-04-21
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The active site of magnesium chelatase.
Nat.Plants, 6, 2020
6FPA
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BU of 6fpa by Molmil
Crystal structure of anti-mTFP1 DARPin 1238_G01 in space group P212121
Descriptor: DARPin 1238_G01
Authors:Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T.
Deposit date:2018-02-09
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
2HLA
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BU of 2hla by Molmil
SPECIFICITY POCKETS FOR THE SIDE CHAINS OF PEPTIDE ANTIGENS IN HLA-AW68
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-Aw68)
Authors:Garrett, T.P.J, Saper, M.A, Wiley, D.C.
Deposit date:1989-10-05
Release date:1990-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Specificity pockets for the side chains of peptide antigens in HLA-Aw68.
Nature, 342, 1989
7KJH
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BU of 7kjh by Molmil
Plasmodium falciparum protein Pf12p bound to nanobody B9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Nanobody B9, ...
Authors:Dietrich, M.H, Tham, W.H.
Deposit date:2020-10-26
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nanobody generation and structural characterization of Plasmodium falciparum 6-cysteine protein Pf12p.
Biochem.J., 478, 2021
6FPB
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BU of 6fpb by Molmil
Crystal structure of anti-mTFP1 DARPin 1238_G01 in space group I4
Descriptor: CHLORIDE ION, DARPin 1238_G01
Authors:Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T.
Deposit date:2018-02-09
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.617 Å)
Cite:DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
2K2G
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BU of 2k2g by Molmil
Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor
Descriptor: Macrophage metalloelastase, N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine, ZINC ION
Authors:Markus, M.A, Dwyer, B, Wolfrom, S, Li, J, Li, W, Malakian, K, Wilhelm, J, Tsao, D.H.H.
Deposit date:2008-04-01
Release date:2008-05-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor.
J.Biomol.Nmr, 41, 2008
2JT5
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BU of 2jt5 by Molmil
solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of n-hydroxy-2-[n-(2-hydroxyethyl)biphenyl-4-sulfonamide] hydroxamic acid (MLC88)
Descriptor: CALCIUM ION, N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide, Stromelysin-1, ...
Authors:Alcaraz, L.A, Banci, L, Bertini, I, Cantini, F, Donaire, A, Gonnelli, L.
Deposit date:2007-07-20
Release date:2008-02-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors
J.Biol.Inorg.Chem., 12, 2007
6GKF
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BU of 6gkf by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 14-3-3 binding motif Ser139
Descriptor: 14-3-3 protein gamma, Caspase-2
Authors:Alblova, M, Obsil, T, Obsilova, V.
Deposit date:2018-05-20
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:14-3-3 protein masks the nuclear localization sequence of caspase-2.
FEBS J., 285, 2018
2KKQ
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BU of 2kkq by Molmil
Solution NMR Structure of the Ig-like C2-type 2 Domain of Human Myotilin. Northeast Structural Genomics Target HR3158.
Descriptor: Myotilin
Authors:Rossi, P, Shastry, R, Ciccosanti, C, Hamilton, K, Xiao, R, Acton, T.B, Swapna, G.V.T, Nair, R, Everett, J.K, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-29
Release date:2009-07-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of the Ig-like C2-type 2 Domain of Human Myotilin. Northeast Structural Genomics Target HR3158.
To be Published
2KKA
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BU of 2kka by Molmil
Human telomere DNA two-tetrad quadruplex structure in K+ solution
Descriptor: 5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*IP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3'
Authors:Zhang, Z, Dai, J, Yang, D.
Deposit date:2009-06-16
Release date:2009-12-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of a two-G-tetrad intramolecular G-quadruplex formed by a variant human telomeric sequence in K+ solution: insights into the interconversion of human telomeric G-quadruplex structures.
Nucleic Acids Res., 38, 2010
2KL7
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BU of 2kl7 by Molmil
Solution NMR Structure of the EGF-like 1 Domain of Human Fibulin-4. Northeast Structural Genomics Target HR6275
Descriptor: Fibulin-4
Authors:Rossi, P, Chiang, Y, Anderson, S, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-30
Release date:2009-07-21
Last modified:2020-02-26
Method:SOLUTION NMR
Cite:Solution NMR Structure of the EGF-like 1 Domain of Human Fibulin-4. Northeast Structural Genomics Target HR6275
To be Published
2JIH
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BU of 2jih by Molmil
Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form)
Descriptor: (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAMTS-1, CADMIUM ION, ...
Authors:Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M.
Deposit date:2007-06-28
Release date:2008-01-15
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains.
J. Mol. Biol., 373, 2007
2JT6
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BU of 2jt6 by Molmil
Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of 3-4'-cyanobyphenyl-4-yloxy)-n-hdydroxypropionamide (MMP-3 inhibitor VII)
Descriptor: 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide, CALCIUM ION, Stromelysin-1, ...
Authors:Alcaraz, L.A, Banci, L, Bertini, I, Cantini, F, Donaire, A, Gonnelli, L.
Deposit date:2007-07-23
Release date:2008-02-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors
J.Biol.Inorg.Chem., 12, 2007

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