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1ACY
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BU of 1acy by Molmil
CRYSTAL STRUCTURE OF THE PRINCIPAL NEUTRALIZING SITE OF HIV-1
Descriptor: HIV-1 GP120 (MN ISOLATE), IGG1-KAPPA 59.1 FAB (HEAVY CHAIN), IGG1-KAPPA 59.1 FAB (LIGHT CHAIN)
Authors:Ghiara, J.B, Wilson, I.A.
Deposit date:1994-02-10
Release date:1994-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the principal neutralization site of HIV-1.
Science, 264, 1994
1GGI
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BU of 1ggi by Molmil
CRYSTAL STRUCTURE OF AN HIV-1 NEUTRALIZING ANTIBODY 50.1 IN COMPLEX WITH ITS V3 LOOP PEPTIDE ANTIGEN
Descriptor: HIV-1 V3 LOOP PEPTIDE ANTIGEN, IGG2A 50.1 FAB (HEAVY CHAIN), IGG2A 50.1 FAB (LIGHT CHAIN)
Authors:Stanfield, R.L, Rini, J.M, Wilson, I.A.
Deposit date:1993-04-02
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a human immunodeficiency virus type 1 neutralizing antibody, 50.1, in complex with its V3 loop peptide antigen.
Proc.Natl.Acad.Sci.USA, 90, 1993
1VAD
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BU of 1vad by Molmil
MHC CLASS I H-2KB HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND YEAST ALPHA-GLUCOSIDASE
Descriptor: BETA-2 MICROGLOBULIN, MHC CLASS I H-2KB HEAVY CHAIN, YEAST ALPHA-GLUCOSIDASE
Authors:Fremont, D.H, Wilson, I.A.
Deposit date:1994-11-01
Release date:1996-06-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of an H-2Kb-ovalbumin peptide complex reveals the interplay of primary and secondary anchor positions in the major histocompatibility complex binding groove.
Proc.Natl.Acad.Sci.USA, 92, 1995
2CKK
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BU of 2ckk by Molmil
High resolution crystal structure of the human kin17 C-terminal domain containing a kow motif
Descriptor: ACETATE ION, IODIDE ION, KIN17
Authors:le Maire, A, Schiltz, M, Pinon-Lataillade, G, Stura, E, Couprie, J, Gondry, M, Angulo-Mora, J, Zinn-Justin, S.
Deposit date:2006-04-20
Release date:2006-10-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Tandem of SH3-Like Domains Participates in RNA Binding in Kin17, a Human Protein Activated in Response to Genotoxics.
J.Mol.Biol., 364, 2006
3GAR
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BU of 3gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
Authors:Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
Deposit date:1998-05-13
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
7FD1
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BU of 7fd1 by Molmil
7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT PH 8.5, 100 K, 1.35 A
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
Authors:Stout, C.D, Stura, E.A, Mcree, D.E.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
7ANQ
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BU of 7anq by Molmil
Complete PCSK9 C-ter domain in complex with VHH P1.40
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Proprotein convertase subtilisin/kexin type 9, SULFATE ION, ...
Authors:Ciccone, L, Legrand, P, Stura, E.A, Dive, V, Seidahn, N.G, Fruchart Gaillard, C.
Deposit date:2020-10-12
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular interactions of PCSK9 with an inhibitory nanobody, CAP1 and HLA-C: Functional regulation of LDLR levels.
Mol Metab, 67, 2022
5M05
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BU of 5m05 by Molmil
Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP form
Descriptor: 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sirigu, S, Hartman, J, Houdusse, A.
Deposit date:2016-10-03
Release date:2016-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.675 Å)
Cite:Highly selective inhibition of myosin motors provides the basis of potential therapeutic application.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
1FRG
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BU of 1frg by Molmil
CRYSTAL STRUCTURE, SEQUENCE, AND EPITOPE MAPPING OF A PEPTIDE COMPLEX OF AN ANTI-INFLUENZA HA PEPTIDE ANTIBODY FAB 26(SLASH)9: FINE-TUNING ANTIBODY SPECIFICITY
Descriptor: IGG2A 26/9 FAB (HEAVY CHAIN), IGG2A 26/9 FAB (LIGHT CHAIN), INFLUENZA HEMAGGLUTININ HA1 (STRAIN X47) (RESIDUES 101 - 108)
Authors:Churchill, M.E.A, Wilson, I.A.
Deposit date:1994-01-17
Release date:1994-05-31
Last modified:2013-09-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a peptide complex of anti-influenza peptide antibody Fab 26/9. Comparison of two different antibodies bound to the same peptide antigen.
J.Mol.Biol., 241, 1994
1GAR
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BU of 1gar by Molmil
TOWARDS STRUCTURE-BASED DRUG DESIGN: CRYSTAL STRUCTURE OF A MULTISUBSTRATE ADDUCT COMPLEX OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE AT 1.96 ANGSTROMS RESOLUTION
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-1-GLUTAMIC ACID
Authors:Wilson, I.A, Klein, C, Chen, P, Arevalo, J.H.
Deposit date:1994-12-08
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Towards structure-based drug design: crystal structure of a multisubstrate adduct complex of glycinamide ribonucleotide transformylase at 1.96 A resolution.
J.Mol.Biol., 249, 1995
1IGF
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BU of 1igf by Molmil
CRYSTAL STRUCTURES OF AN ANTIBODY TO A PEPTIDE AND ITS COMPLEX WITH PEPTIDE ANTIGEN AT 2.8 ANGSTROMS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IGG1-KAPPA B13I2 FAB (HEAVY CHAIN), IGG1-KAPPA B13I2 FAB (LIGHT CHAIN)
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:1991-03-21
Release date:1992-04-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of an antibody to a peptide and its complex with peptide antigen at 2.8 A.
Science, 248, 1990
1F58
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BU of 1f58 by Molmil
IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 24-RESIDUE PEPTIDE (RESIDUES 308-333 OF HIV-1 GP120 (MN ISOLATE) WITH ALA TO AIB SUBSTITUTION AT POSITION 323
Descriptor: Envelope glycoprotein gp120, PROTEIN (IGG1 ANTIBODY 58.2 (HEAVY CHAIN)), PROTEIN (IGG1 ANTIBODY 58.2 (LIGHT CHAIN))
Authors:Stanfield, R.L, Cabezas, E, Satterthwait, A.C, Stura, E.A, Profy, A.T, Wilson, I.A.
Deposit date:1998-10-21
Release date:1999-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dual conformations for the HIV-1 gp120 V3 loop in complexes with different neutralizing fabs.
Structure Fold.Des., 7, 1999
3MKO
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BU of 3mko by Molmil
Crystal Structure of the Lymphocytic Choriomeningitis Virus Membrane Fusion Glycoprotein GP2 in its Postfusion Conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Glycoprotein C, ...
Authors:Igonet, S, Vaney, M.C, Rey, F.A.
Deposit date:2010-04-15
Release date:2011-04-20
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structure of the arenavirus glycoprotein GP2 in its postfusion hairpin conformation
Proc.Natl.Acad.Sci.USA, 108, 2011
1A3L
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BU of 1a3l by Molmil
CATALYSIS OF A DISFAVORED REACTION: AN ANTIBODY EXO DIELS-ALDERASE-TSA-INHIBITOR COMPLEX AT 1.95 A RESOLUTION
Descriptor: 1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE, IMMUNOGLOBULIN FAB 13G5 (HEAVY CHAIN), IMMUNOGLOBULIN FAB 13G5 (LIGHT CHAIN)
Authors:Heine, A, Wilson, I.A.
Deposit date:1998-01-22
Release date:1999-02-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An antibody exo Diels-Alderase inhibitor complex at 1.95 angstrom resolution.
Science, 279, 1998
15C8
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BU of 15c8 by Molmil
CATALYTIC ANTIBODY 5C8, FREE FAB
Descriptor: IGG 5C8 FAB (HEAVY CHAIN), IGG 5C8 FAB (LIGHT CHAIN)
Authors:Gruber, K, Wilson, I.A.
Deposit date:1998-03-18
Release date:1999-03-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand-Induced Conformational Changes in a Catalytic Antibody: Comparison of the Bound and Unbound Structure of Fab 5C8
To be Published
7OVY
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BU of 7ovy by Molmil
Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Ciccone, L, Rossello, A, Vera, L, Nuti, E, Stura, E.A.
Deposit date:2021-06-15
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
1AXT
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BU of 1axt by Molmil
IMMUNE VERSUS NATURAL SELECTION: ANTIBODY ALDOLASES WITH THE RATES OF NATURAL ENZYMES
Descriptor: IMMUNOGLOBULIN IGG2A
Authors:Heine, A, Wilson, I.A.
Deposit date:1997-10-20
Release date:1998-10-28
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Immune versus natural selection: antibody aldolases with enzymic rates but broader scope.
Science, 278, 1997
1CD1
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BU of 1cd1 by Molmil
CD1(MOUSE) ANTIGEN PRESENTING MOLECULE
Descriptor: CD1
Authors:Zeng, Z.H, Segelke, B.W, Wilson, I.A.
Deposit date:1997-04-02
Release date:1997-10-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of mouse CD1: An MHC-like fold with a large hydrophobic binding groove.
Science, 277, 1997
2F58
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BU of 2f58 by Molmil
IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 12-RESIDUE CYCLIC PEPTIDE (INCLUDING RESIDUES 315-324 OF HIV-1 GP120) (MN ISOLATE)
Descriptor: 1-IMINO-5-PENTANONE, PROTEIN (HIV-1 GP120), PROTEIN (IGG1 FAB 58.2 ANTIBODY (HEAVY CHAIN)), ...
Authors:Stanfield, R.L, Cabezas, E, Satterthwait, A.C, Stura, E.A, Profy, A.T, Wilson, I.A.
Deposit date:1998-10-23
Release date:1999-02-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual conformations for the HIV-1 gp120 V3 loop in complexes with different neutralizing fabs.
Structure Fold.Des., 7, 1999
2H5F
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BU of 2h5f by Molmil
Denmotoxin: A the three-finger toxin from colubrid snake Boiga dendrophila with bird-specific activity
Descriptor: PHOSPHATE ION, POTASSIUM ION, SODIUM ION, ...
Authors:Pawlak, J, Kini, R.M, Stura, E.A.
Deposit date:2006-05-26
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Denmotoxin, a three-finger toxin from the colubrid snake Boiga dendrophila (Mangrove Catsnake) with bird-specific activity.
J.Biol.Chem., 281, 2006
6S8C
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BU of 6s8c by Molmil
Post-fusion conformation of the envelope protein of tick-borne encephalitis virus with longer stem
Descriptor: Genome polyprotein,Genome polyprotein
Authors:Vaney, M.C, Rouvinski, A, Rey, F.A.
Deposit date:2019-07-09
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Extensive flavivirus E trimer breathing accompanies stem zippering of the post-fusion hairpin.
Embo Rep., 21, 2020
1URZ
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BU of 1urz by Molmil
Low pH induced, membrane fusion conformation of the envelope protein of tick-borne encephalitis virus
Descriptor: ENVELOPE PROTEIN
Authors:Bressanelli, S, Rey, F.A.
Deposit date:2003-11-16
Release date:2004-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of a Flavivirus Envelope Glycoprotein in its Low-Ph-Induced Membrane Fusion Conformation.
Embo J., 23, 2004
2GAR
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BU of 2gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
Authors:Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
Deposit date:1998-05-13
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
1FPT
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BU of 1fpt by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN THE FAB FRAGMENT OF AN NEUTRALIZING ANTIBODY FOR TYPE 1 POLIOVIRUS AND ITS VIRAL EPITOPE
Descriptor: FAB FRAGMENT OF AN NEUTRALIZING ANTIBODY FOR TYPE 1 POLIOVIRUS, IGG2A-KAPPA C3 FAB (HEAVY CHAIN), IGG2A-KAPPA C3 FAB (LIGHT CHAIN)
Authors:Wien, M.W, Hogle, J.M.
Deposit date:1995-01-26
Release date:1995-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the complex between the Fab fragment of a neutralizing antibody for type 1 poliovirus and its viral epitope.
Nat.Struct.Biol., 2, 1995
3MK1
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BU of 3mk1 by Molmil
Refinement of placental alkaline phosphatase complexed with nitrophenyl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alkaline phosphatase, ...
Authors:Stec, B, Cheltsov, A, Millan, J.L.
Deposit date:2010-04-13
Release date:2011-01-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Refined structures of placental alkaline phosphatase show a consistent pattern of interactions at the peripheral site.
Acta Crystallogr.,Sect.F, 66, 2010

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