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4FZ1
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BU of 4fz1 by Molmil
Crystal structure of acid-sensing ion channel in complex with psalmotoxin 1 at high pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Pi-theraphotoxin-Pc1a
Authors:Baconguis, I, Gouaux, E.
Deposit date:2012-07-05
Release date:2012-08-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.359 Å)
Cite:Structural plasticity and dynamic selectivity of acid-sensing ion channel-spider toxin complexes.
Nature, 489, 2012
9CTS
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BU of 9cts by Molmil
Best1 + GABA intermediate state 2
Descriptor: Bestrophin-1, CALCIUM ION, GAMMA-AMINO-BUTANOIC ACID
Authors:Owji, A.P, Kittredge, A, Zhang, Y, Yang, T.
Deposit date:2024-07-25
Release date:2024-09-25
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:GAD65 tunes the functions of Best1 as a GABA receptor and a neurotransmitter conducting channel.
Nat Commun, 15, 2024
3MCI
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BU of 3mci by Molmil
Crystal structure of molybdenum cofactor biosynthesis (AQ_061) from aquifex aeolicus VF5
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Molybdenum cofactor biosynthesis MOG
Authors:Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-03-29
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
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:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the principal neutralization site of HIV-1.
Science, 264, 1994
3FKD
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BU of 3fkd by Molmil
The crystal structure of L-threonine-O-3-phosphate decarboxylase from Porphyromonas gingivalis
Descriptor: L-threonine-O-3-phosphate decarboxylase
Authors:Zhang, Z, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-12-16
Release date:2009-02-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of L-threonine-O-3-phosphate decarboxylase from Porphyromonas gingivalis
To be Published
3F58
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BU of 3f58 by Molmil
IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 12-RESIDUE CYCLIC PEPTIDE (INCLUDING RESIDUES 315-324 OF HIV-1 GP120 (MN ISOLATE); H315S MUTATION
Descriptor: PROTEIN (CYCLIC PEPTIDE (GP120)), PROTEIN (IMMUNOGLOBULIN GAMMA I (58.2))
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:2023-09-06
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
3OCP
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BU of 3ocp by Molmil
Crystal structure of cAMP bound cGMP-dependent protein kinase(92-227)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PRKG1 protein
Authors:Kim, J.J, Huang, G, Kwon, T.K, Zwart, P, Headd, J, Kim, C.
Deposit date:2010-08-10
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding
Plos One, 6, 2011
3OJY
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BU of 3ojy by Molmil
Crystal Structure of Human Complement Component C8
Descriptor: CALCIUM ION, Complement component C8 alpha chain, Complement component C8 beta chain, ...
Authors:Lovelace, L.L, Cooper, C.L, Sodetz, J.M, Lebioda, L.
Deposit date:2010-08-23
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of human C8 protein provides mechanistic insight into membrane pore formation by complement.
J.Biol.Chem., 286, 2011
1CP3
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BU of 1cp3 by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE TETRAPEPTIDE INHIBITOR ACE-DVAD-FMC
Descriptor: ACETYL-ASP-VAL-ALA-ASP-FLUOROMETHYLKETONE, APOPAIN
Authors:Mittl, P.R.E, Dimarco, S, Gruetter, M.G.
Deposit date:1996-12-12
Release date:1997-12-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of recombinant human CPP32 in complex with the tetrapeptide acetyl-Asp-Val-Ala-Asp fluoromethyl ketone.
J.Biol.Chem., 272, 1997
159D
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BU of 159d by Molmil
SIDE BY SIDE BINDING OF TWO DISTAMYCIN A DRUGS IN THE MINOR GROOVE OF AN ALTERNATING B-DNA DUPLEX
Descriptor: DISTAMYCIN A, DNA (5'-D(*IP*CP*IP*CP*IP*CP*IP*C)-3'), MAGNESIUM ION
Authors:Chen, X, Ramakrishnan, B, Rao, S.T, Sundaralingam, M.
Deposit date:1994-02-10
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of two distamycin A molecules in the minor groove of an alternating B-DNA duplex.
Nat.Struct.Biol., 1, 1994
3OD0
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BU of 3od0 by Molmil
Crystal structure of cGMP bound cGMP-dependent protein kinase(92-227)
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, PRKG1 protein
Authors:Kim, J.J, Huang, G, Kwon, T.K, Zwart, P, Headd, J, Kim, C.
Deposit date:2010-08-10
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding
Plos One, 6, 2011
3PCX
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BU of 3pcx by Molmil
Caspase-3 E246A, K242A Double Mutant
Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3PD1
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BU of 3pd1 by Molmil
Caspase-3 K242A
Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3PD0
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BU of 3pd0 by Molmil
Caspase-3 E246A
Descriptor: CHLORIDE ION, Caspase-3, INHIBITOR AC-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-16
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3DOG
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BU of 3dog by Molmil
Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1
Descriptor: (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol, Cell division protein kinase 2, Cyclin-A2, ...
Authors:Echalier, A, Endicott, J.
Deposit date:2008-07-04
Release date:2008-09-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:N-&-N, a new class of cell death-inducing kinase inhibitors derived from the purine roscovitine.
Mol.Cancer Ther., 7, 2008
3GIS
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BU of 3gis by Molmil
Crystal Structure of Na-free Thrombin in Complex with Thrombomodulin
Descriptor: CALCIUM ION, Prothrombin, SULFATE ION, ...
Authors:Adams, T.E, Huntington, J.A.
Deposit date:2009-03-06
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of thrombomodulin activation of slow thrombin
J.Thromb.Haemost., 7, 2009
3H0E
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BU of 3h0e by Molmil
3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3
Descriptor: (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol, Caspase-3
Authors:Xu, W.
Deposit date:2009-04-09
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3
Bioorg.Med.Chem., 17, 2009
3OGJ
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BU of 3ogj by Molmil
Crystal structure of partial apo (92-227) of cGMP-dependent protein kinase
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, PRKG1 protein
Authors:Kim, J.J, Huang, G, Kwon, T.K, Zwart, P, Headd, J, Kim, C.
Deposit date:2010-08-16
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding
Plos One, 6, 2011
3DDP
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BU of 3ddp by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8
Descriptor: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 2, Cyclin-A2
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
3DEK
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BU of 3dek by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
Descriptor: Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
Authors:Wu, J, Du, J, Li, J, Ding, J.
Deposit date:2008-06-10
Release date:2008-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
1DMT
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BU of 1dmt by Molmil
STRUCTURE OF HUMAN NEUTRAL ENDOPEPTIDASE COMPLEXED WITH PHOSPHORAMIDON
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ...
Authors:Oefner, C, D'Arcy, A, Hennig, M, Winkler, F.K, Dale, G.E.
Deposit date:1999-12-15
Release date:2000-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of human neutral endopeptidase (Neprilysin) complexed with phosphoramidon.
J.Mol.Biol., 296, 2000
1DX5
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BU of 1dx5 by Molmil
Crystal structure of the thrombin-thrombomodulin complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FORMIC ACID, ...
Authors:Fuentes-Prior, P, Iwanaga, Y, Huber, R, Pagila, R, Rumennik, G, Seto, M, Morser, J, Light, D.R, Bode, W.
Deposit date:1999-12-20
Release date:2000-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Anticoagulant Activity of the Thrombin-Thrombomodulin Complex
Nature, 404, 2000
3DEI
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BU of 3dei by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
Descriptor: (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3
Authors:Wu, J, Du, J, Li, J, Ding, J.
Deposit date:2008-06-10
Release date:2008-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3PCI
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BU of 3pci by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-IODO-4-HYDROXYBENZOATE
Descriptor: 3-IODO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ...
Authors:Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H.
Deposit date:1997-07-02
Release date:1998-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
2VHS
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BU of 2vhs by Molmil
Cathsilicatein, a chimera
Descriptor: CATHSILICATEIN, SULFATE ION
Authors:Fairhead, M, Kowatz, T, McMahon, S.A, Carter, L.G, Oke, M, Johnson, K.A, Liu, H, Naismith, J.H, Wal, C.F.V.D.
Deposit date:2007-11-24
Release date:2008-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure and Silica Condensing Activities of Silicatein Alpha-Cathepsin L Chimeras.
Chem. Commun., 2008

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