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7ETH
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BU of 7eth by Molmil
Crystal structure of AbHpaI-Zn-pyruvate-propionaldehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii
Descriptor: 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, PROPANAL, ...
Authors:Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S.
Deposit date:2021-05-12
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
7ET9
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BU of 7et9 by Molmil
Crystal structure of AbHpaI-Zn-pyruvate complex, Class II aldolase, HpaI from Acinetobacter baumannii
Descriptor: 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, PYRUVIC ACID, ...
Authors:Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S.
Deposit date:2021-05-12
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
7ET8
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BU of 7et8 by Molmil
Crystal structure of thermostable AbHpaI, a class II metal dependent pyruvate aldolase, HpaI from Acinetobacter baumannii
Descriptor: 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION
Authors:Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S.
Deposit date:2021-05-12
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
7ETD
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BU of 7etd by Molmil
Crystal structure of AbHpaI-Zn-(4S)-KDGlu complex, Class II aldolase, HpaI from Acinetobacter baumannii
Descriptor: 2-KETO-3-DEOXYGLUCONATE, 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, ...
Authors:Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S.
Deposit date:2021-05-12
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
7ETE
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BU of 7ete by Molmil
Crystal structure of AbHpaI-Mg-(4R)-KDGal complex, Class II aldolase, HpaI from Acinetobacter baumannii
Descriptor: (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid, 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, ...
Authors:Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S.
Deposit date:2021-05-12
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
7ETI
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BU of 7eti by Molmil
Crystal structure of AbHpaI-Zn-pyruvate-4-hydroxybenzaldehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii
Descriptor: 4-hydroxy-2-oxoheptanedioate aldolase, CALCIUM ION, P-HYDROXYBENZALDEHYDE, ...
Authors:Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S.
Deposit date:2021-05-12
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
4DG1
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BU of 4dg1 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G.
Deposit date:2012-01-24
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors.
J.Biol.Chem., 287, 2012
4DOU
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BU of 4dou by Molmil
Crystal Structure of a Single-chain Trimer of Human Adiponectin Globular Domain
Descriptor: 1,2-ETHANEDIOL, Adiponectin, CALCIUM ION, ...
Authors:Min, X, Walker, N.P, Wang, Z.
Deposit date:2012-02-10
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a single-chain trimer of human adiponectin globular domain.
Febs Lett., 586, 2012
6MDB
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BU of 6mdb by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDC
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BU of 6mdc by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
Descriptor: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
Descriptor: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
1G1S
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BU of 1g1s by Molmil
P-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH PSGL-1 PEPTIDE
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose, P-SELECTIN, ...
Authors:Somers, W.S, Camphausen, R.T.
Deposit date:2000-10-13
Release date:2001-10-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
1G1R
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BU of 1g1r by Molmil
Crystal structure of P-selectin lectin/EGF domains complexed with SLeX
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ...
Authors:Somers, W.S, Camphausen, R.T.
Deposit date:2000-10-13
Release date:2001-10-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
6MDA
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BU of 6mda by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4
Descriptor: 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MD7
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BU of 6md7 by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrimidinone 7
Descriptor: 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
1SMN
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BU of 1smn by Molmil
IDENTIFICATION OF THE SERRATIA ENDONUCLEASE DIMER: STRUCTURAL BASIS AND IMPLICATIONS FOR CATALYSIS
Descriptor: EXTRACELLULAR ENDONUCLEASE
Authors:Miller, M.D, Krause, K.L.
Deposit date:1995-01-25
Release date:1996-01-29
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Identification of the Serratia endonuclease dimer: structural basis and implications for catalysis.
Protein Sci., 5, 1996
6MD9
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BU of 6md9 by Molmil
NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
Descriptor: 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
1G1T
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BU of 1g1t by Molmil
CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH SLEX
Descriptor: CALCIUM ION, E-SELECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Authors:Somers, W.S, Camphausen, R.T.
Deposit date:2000-10-13
Release date:2001-10-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
1G1Q
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BU of 1g1q by Molmil
Crystal structure of P-selectin lectin/EGF domains
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, P-SELECTIN
Authors:Somers, W.S, Camphausen, R.T.
Deposit date:2000-10-13
Release date:2001-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
6AXW
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BU of 6axw by Molmil
Structure of the I124A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-07
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a Structural Element in HIV-1 Gag Required for Virus Particle Assembly and Maturation.
MBio, 9, 2018
3VOC
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BU of 3voc by Molmil
Crystal structure of the catalytic domain of beta-amylase from paenibacillus polymyxa
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta/alpha-amylase, ...
Authors:Nishimura, S, Fujioka, T, Nakaniwa, T, Tada, T.
Deposit date:2012-01-21
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis by X-ray crystallography and small-angle scattering of the multi-domain beta-amylase from Paenibacillus polymyxa
To be Published
6AXR
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BU of 6axr by Molmil
Structure of the P122A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-07
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a Structural Element in HIV-1 Gag Required for Virus Particle Assembly and Maturation.
MBio, 9, 2018
3C9M
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BU of 3c9m by Molmil
Structure of a mutant bovine rhodopsin in hexagonal crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL GROUP, RETINAL, ...
Authors:Stenkamp, R.E.
Deposit date:2008-02-16
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Alternative models for two crystal structures of bovine rhodopsin.
Acta Crystallogr.,Sect.D, 64, 2008
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
7CTZ
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BU of 7ctz by Molmil
Wild-type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 148, NADPH, and dUMP
Descriptor: 1-[3-(trifluoromethyl)phenyl]urea, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vitsupakorn, D.
Deposit date:2020-08-20
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening.
J Enzyme Inhib Med Chem, 36, 2021

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