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6O6W
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BU of 6o6w by Molmil
Solution structure of human myeloid-derived growth factor
Descriptor: Myeloid-derived growth factor
Authors:Bortnov, V, Tonelli, M, Lee, W, Markley, J.L, Mosher, D.F.
Deposit date:2019-03-07
Release date:2019-11-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of human myeloid-derived growth factor suggests a conserved function in the endoplasmic reticulum.
Nat Commun, 10, 2019
4CVZ
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BU of 4cvz by Molmil
COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE
Descriptor: 1,2-ETHANEDIOL, BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B21, ...
Authors:Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
Deposit date:2014-03-31
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
3N2V
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BU of 3n2v by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(N-hydroxyethyl)biphenyl-4-ylsulfonamido)acetamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide, ...
Authors:Calderone, V.
Deposit date:2010-05-19
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).
Eur.J.Med.Chem., 45, 2010
7Z36
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BU of 7z36 by Molmil
Crystal structure of the KAP1 tripartite motif in complex with the ZNF93 KRAB domain
Descriptor: Endolysin,Transcription intermediary factor 1-beta,Isoform 2 of Transcription intermediary factor 1-beta, SMARCAD1 CUE1 domain, ZINC ION, ...
Authors:Stoll, G.A, Modis, Y.
Deposit date:2022-03-01
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and functional mapping of the KRAB-KAP1 repressor complex.
Embo J., 41, 2022
2HPQ
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BU of 2hpq by Molmil
Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human ppack-thrombin
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ...
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1993-04-28
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human PPACK-thrombin.
Biochemistry, 32, 1993
4D06
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BU of 4d06 by Molmil
Bacterial chalcone isomerase complexed with naringenin
Descriptor: (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one, CHALCONE ISOMERASE, CHLORIDE ION, ...
Authors:Thomsen, M, Palm, G.J, Hinrichs, W.
Deposit date:2014-04-24
Release date:2015-04-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
4D0B
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BU of 4d0b by Molmil
COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE
Descriptor: BETA-2-MICROGLOBULIN, MHC CLASS I ANTIGEN, PEPTIDE
Authors:Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
Deposit date:2014-04-25
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
3N43
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BU of 3n43 by Molmil
Crystal structures of the mature envelope glycoprotein complex (trypsin cleavage) of Chikungunya virus.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
1TBQ
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BU of 1tbq by Molmil
CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor: RHODNIIN, THROMBIN
Authors:Van De Locht, A, Lamba, D, Bode, W.
Deposit date:1995-03-02
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995
1F6N
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BU of 1f6n by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> TYR FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G.
Deposit date:2000-06-22
Release date:2001-04-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray structure analyses of photosynthetic reaction center variants from Rhodobacter sphaeroides: structural changes induced by point mutations at position L209 modulate electron and proton transfer.
Biochemistry, 40, 2001
1FN6
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BU of 1fn6 by Molmil
CRYSTAL STRUCTURE OF PORCINE BETA TRYPSIN WITH 0.1% POLYDOCANOL
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, METHANOL, ...
Authors:Deepthi, S, Johnson, A, Pattabhi, V.
Deposit date:2000-08-21
Release date:2000-09-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of porcine beta-trypsin-detergent complexes: the stabilization of proteins through hydrophilic binding of polydocanol.
Acta Crystallogr.,Sect.D, 57, 2001
6PIV
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BU of 6piv by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-7 (NR03-77)
Descriptor: (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
3N21
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BU of 3n21 by Molmil
Crystal structure of Thermolysin in complex with S-1,2-Propandiol
Descriptor: CALCIUM ION, S-1,2-PROPANEDIOL, Thermolysin, ...
Authors:Behnen, J, Heine, A, Klebe, G.
Deposit date:2010-05-17
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
6PJ0
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BU of 6pj0 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-5 (NR01-97)
Descriptor: 1,2-ETHANEDIOL, 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4 Aprotease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
3NK8
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BU of 3nk8 by Molmil
Trypsin in complex with fluorine-containing fragment
Descriptor: 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one, CALCIUM ION, Cationic trypsin, ...
Authors:Schiering, N, Vulpetti, A, Dalvit, C.
Deposit date:2010-06-18
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
3N40
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BU of 3n40 by Molmil
Crystal structure of the immature envelope glycoprotein complex of Chikungunya virus.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
4D8I
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BU of 4d8i by Molmil
High resolution structures of monomeric S. pyogenes SpeB reveals role of glycine-rich active site loop
Descriptor: ACE-AEIK-CHO ALDEHYDE (BOUND FORM), NITRATE ION, Streptopain
Authors:Gonzalez, G.E, Wolan, D.W.
Deposit date:2012-01-10
Release date:2012-06-06
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop.
J.Biol.Chem., 287, 2012
4D9Q
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BU of 4d9q by Molmil
Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D
Descriptor: Anti-Factor D, heavy chain, light chain, ...
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2012-01-11
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Inhibiting alternative pathway complement activation by targeting the factor d exosite.
J.Biol.Chem., 287, 2012
3N42
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BU of 3n42 by Molmil
Crystal structures of the mature envelope glycoprotein complex (furin cleavage) of Chikungunya virus.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, E1 envelope glycoprotein, ...
Authors:Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
6PIW
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BU of 6piw by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-6 (NR03-67)
Descriptor: 1,2-ETHANEDIOL, NS3/A4 protease, ZINC ION, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6PJ1
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Crystal structure of HCV NS3/4A D168A protease in complex with P4-4(AJ-74)
Descriptor: 1,2-ETHANEDIOL, 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4A protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6PQ5
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AGAAAA segment 113-118 from human prion
Descriptor: MALONATE ION, Major prion protein
Authors:Apostol, M.I, Sawaya, M.R, Eisenberg, D.
Deposit date:2019-07-08
Release date:2020-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cryo-EM structure of a human prion fibril with a hydrophobic, protease-resistant core.
Nat.Struct.Mol.Biol., 27, 2020
1FNQ
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CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> GLU FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G.
Deposit date:2000-08-23
Release date:2001-04-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray structure analyses of photosynthetic reaction center variants from Rhodobacter sphaeroides: structural changes induced by point mutations at position L209 modulate electron and proton transfer.
Biochemistry, 40, 2001
3NKF
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Crystal structure of human ligand-free mature caspase-6 with intersubunit linker attached
Descriptor: Caspase-6
Authors:Vaidya, S, Hardy, J.A.
Deposit date:2010-06-18
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate-Induced Conformational Changes Occur in All Cleaved Forms of Caspase-6.
J.Mol.Biol., 406, 2011
4EQK
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BU of 4eqk by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Hong Kong/1/68 (h3n2) with bound m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, NITRATE ION, Polymerase basic protein 2
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-19
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013

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