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1WAY
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BU of 1way by Molmil
Active site thrombin inhibitors
Descriptor: 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE, DIMETHYL SULFOXIDE, HIRUGEN, ...
Authors:Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H.
Deposit date:2004-10-28
Release date:2005-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1MID
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BU of 1mid by Molmil
Non-specific lipid transfer protein 1 from barley in complex with L-alfa-lysophosphatidylcholine, Laudoyl
Descriptor: [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM, nonspecific lipid-transfer protein 1
Authors:Henriksen, A.
Deposit date:2002-08-23
Release date:2004-04-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Binding of L-alfa-lysophosphatidylcholine, lauroyl in the hydrophobic channel of barley lipid transfer protein
To be Published
1VTT
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BU of 1vtt by Molmil
GT Wobble Base-Pairing in Z-DNA at 1.0 Angstrom Atomic Resolution: The Crystal Structure of d(CGCGTG)
Descriptor: DNA (5'-D(*CP*GP*CP*GP*TP*G)-3')
Authors:Ho, P.S, Frederick, C.A, Quigley, G.J, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J, Rich, A.
Deposit date:1988-08-18
Release date:2011-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:GT Wobble Base-Pairing in Z-DNA at 1.0 Angstrom Atomic Resolution: The Crystal Structure of d(CGCGTG)
Embo J., 4, 1985
2G33
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BU of 2g33 by Molmil
Human Hepatitis B Virus T=4 capsid, strain adyw
Descriptor: Core antigen
Authors:Bourne, C.R, Zlotnick, A.
Deposit date:2006-02-17
Release date:2006-11-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Global Structural Changes in Hepatitis B Virus Capsids Induced by the Assembly Effector HAP1.
J.Virol., 80, 2006
1M5D
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BU of 1m5d by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH Br-HIBO AT 1.73 A RESOLUTION
Descriptor: (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2, SULFATE ION
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
1MN8
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BU of 1mn8 by Molmil
Structure of Moloney Murine Leukaemia Virus Matrix Protein
Descriptor: Core protein p15
Authors:Riffel, N, Harlos, K, Iourin, O, Rao, Z, Kingsman, A, Stuart, D, Fry, E.
Deposit date:2002-09-05
Release date:2003-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1 Å)
Cite:Atomic resolution structure of Moloney murine leukaemia virus matrix protein and its relationship to other retroviral matrix proteins.
Structure, 10, 2002
1W92
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BU of 1w92 by Molmil
The structure of carbomonoxy murine neuroglobin reveals a heme- sliding mechanism for affinity regulation
Descriptor: CARBON MONOXIDE, NEUROGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vallone, B, Nienhaus, K, Matthes, A, Brunori, M, Nienhaus, G.U.
Deposit date:2004-10-05
Release date:2004-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Carbonmonoxy Neuroglobin Reveals a Heme-Sliding Mechanism for Control of Ligand Affinity
Proc.Natl.Acad.Sci.USA, 101, 2004
1LZJ
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BU of 1lzj by Molmil
Glycosyltransferase B + UDP + H antigen acceptor
Descriptor: Glycosyltransferase B, MANGANESE (II) ION, MERCURY (II) ION, ...
Authors:Patenaude, S.I, Seto, N.O.L, Borisova, S.N, Szpacenko, A, Marcus, S.L, Palcic, M.M, Evans, S.V.
Deposit date:2002-06-10
Release date:2002-08-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:The structural basis for specificity in human ABO(H) blood group biosynthesis.
Nat.Struct.Biol., 9, 2002
1WBG
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BU of 1wbg by Molmil
Active site thrombin inhibitors
Descriptor: 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE, DIMETHYL SULFOXIDE, HIRUGEN, ...
Authors:Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H.
Deposit date:2004-11-01
Release date:2005-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
8CZP
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BU of 8czp by Molmil
2.25 angstrom resolution crystal structure of as-isolated KatG from Mycobacterium tuberculosis with an MYW cofactor
Descriptor: ACETATE ION, Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, J, Liu, A.
Deposit date:2022-05-25
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2.25 angstrom resolution crystal structure of as-isolated KatG from Mycobacterium tuberculosis with an MYW cofactor
To Be Published
8D2P
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BU of 8d2p by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Target bound)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA target strand (5'-D(P*CP*CP*AP*GP*GP*AP*TP*CP*TP*TP*GP*CP*CP*AP*TP*CP*CP*TP*AP*CP*CP*TP*CP*T)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2N
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BU of 8d2n by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Pre-cleavage)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2K
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BU of 8d2k by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 2)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2O
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BU of 8d2o by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 2)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2L
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BU of 8d2l by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 1)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
8D2Q
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BU of 8d2q by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 1)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9.
Nat Catal, 6, 2023
1MEX
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BU of 1mex by Molmil
Antibody Catalysis of a Bimolecular Cycloaddition Reaction
Descriptor: 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-BENZOIC ACID, Fab 29G12 heavy chain, Fab 29G12 light chain
Authors:Heine, A, Wilson, I.A.
Deposit date:2002-08-08
Release date:2003-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Antibody Catalysis of a Bimolecular Cycloaddition Reaction
To be Published
1W6H
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BU of 1w6h by Molmil
Novel plasmepsin II-inhibitor complex
Descriptor: N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2
Authors:Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T.
Deposit date:2004-08-18
Release date:2006-07-05
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
1MG7
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BU of 1mg7 by Molmil
Crystal Structure of xol-1
Descriptor: early switch protein xol-1 2.2k splice form
Authors:Luz, J.G, Hassig, C.A, Godzik, A, Meyer, B.J, Wilson, I.A.
Deposit date:2002-08-14
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:XOL-1, primary determinant of sexual fate in C. elegans, is a GHMP kinase family member and a structural prototype for a class of developmental regulators
Genes Dev., 17, 2003
1MM0
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BU of 1mm0 by Molmil
Solution structure of termicin, an antimicrobial peptide from the termite Pseudacanthotermes spiniger
Descriptor: Termicin
Authors:Da Silva, P, Jouvensal, L, Lamberty, M, Bulet, P, Caille, A, Vovelle, F.
Deposit date:2002-09-02
Release date:2003-05-13
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of termicin, an antimicrobial peptide from the termite Pseudacanthotermes spiniger
PROTEIN SCI., 12, 2003
8UX9
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BU of 8ux9 by Molmil
Asymmetric unit of the PARIS Immune Complex at 3.2 Angstrom Resolution
Descriptor: AriA, AriB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Burman, N.B, Henriques, W, Wilkinson, R, Graham, A, Wiedenheft, B.
Deposit date:2023-11-09
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Activation of the PARIS immune complex results in tRNA cleavage and can be subverted by viral tRNAs
To Be Published
1M0W
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BU of 1m0w by Molmil
Yeast Glutathione Synthase Bound to gamma-glutamyl-cysteine, AMP-PNP and 2 Magnesium Ions
Descriptor: GAMMA-GLUTAMYLCYSTEINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Gogos, A, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2002-06-14
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Large Conformational Changes in the Catalytic Cycle of Glutathione Synthase
Structure, 10, 2002
1M3G
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BU of 1m3g by Molmil
SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF MAPK PHOSPHATASE PAC-1: INSIGHTS INTO SUBSTRATE-INDUCED ENZYMATIC ACTIVATION
Descriptor: DUAL SPECIFICITY PROTEIN PHOSPHATASE 2
Authors:Farooq, A, Zhou, M.-M.
Deposit date:2002-06-27
Release date:2003-06-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of the MAPK Phosphatase PAC-1 Catalytic Domain Insights into Substrate-Induced Enzymatic Activation of MKP
Structure, 11, 2003
8EBC
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BU of 8ebc by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria monocytogenes in the complex with IMP
Descriptor: FORMIC ACID, GLYCEROL, INOSINIC ACID, ...
Authors:Kim, Y, Maltseva, N, Makowska-Grzyska, M, Osipiuk, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-08-31
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria monocytogenes in the complex with IMP
To Be Published
1M5F
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BU of 1m5f by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH ACPA AT 1.95 A RESOLUTION
Descriptor: (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ...
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002

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